 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer01_STD_B3LYPDBJ_def2SVPD.in
 Output=26_junionone_conformer01_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-13013.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13025.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer01_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.843861000000      0.588513000000      1.590318000000
  C                                                -2.018204000000      0.424265000000      0.084751000000
  C                                                -0.856893000000     -0.408703000000     -0.589828000000
  C                                                 0.485225000000     -0.407760000000      0.025693000000
  C                                                 1.609556000000      0.001394000000     -0.566648000000
  C                                                 2.918071000000     -0.019332000000      0.133614000000
  O                                                 3.039154000000     -0.402492000000      1.280585000000
  C                                                -2.305460000000      1.761314000000     -0.573782000000
  C                                                -2.977579000000     -0.750179000000     -0.258376000000
  C                                                -1.752114000000     -1.669731000000     -0.448443000000
  C                                                 4.104594000000      0.468016000000     -0.666946000000
  H                                                -3.507633000000     -0.576978000000     -1.196011000000
  H                                                -3.702742000000     -1.029046000000      0.506445000000
  H                                                -0.787609000000     -0.115682000000     -1.639725000000
  H                                                -1.511957000000     -2.231397000000      0.454425000000
  H                                                -1.756468000000     -2.357491000000     -1.292692000000
  H                                                -1.649939000000     -0.363032000000      2.087921000000
  H                                                -2.753812000000      1.008771000000      2.024721000000
  H                                                -1.016421000000      1.262039000000      1.822785000000
  H                                                -1.480256000000      2.460114000000     -0.412932000000
  H                                                -3.210529000000      2.213045000000     -0.158939000000
  H                                                -2.448800000000      1.648912000000     -1.650360000000
  H                                                 0.569847000000     -0.762540000000      1.049131000000
  H                                                 1.593223000000      0.362635000000     -1.590100000000
  H                                                 4.223011000000     -0.138714000000     -1.568854000000
  H                                                 5.009053000000      0.415379000000     -0.066038000000
  H                                                 3.937783000000      1.497147000000     -0.996563000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524502   0.000000
     3  C    2.592601   1.580359   0.000000
     4  C    2.977457   2.638733   1.476532   0.000000
     5  C    4.113794   3.709957   2.500417   1.335064   0.000000
     6  C    5.016718   4.956408   3.863332   2.466022   1.484253
     7  O    4.992180   5.262168   4.321766   2.845582   2.370473
     8  C    2.504369   1.517854   2.609133   3.584993   4.292403
     9  C    2.548545   1.554817   2.173425   3.491269   4.658508
    10  C    3.043785   2.177135   1.552933   2.612099   3.755989
    11  C    6.363480   6.168924   5.038942   3.787686   2.540278
    12  H    3.448208   2.204821   2.724371   4.179008   5.188086
    13  H    2.691973   2.264422   3.112153   4.261008   5.516688
    14  H    3.470553   2.186258   1.092220   2.116373   2.628992
    15  H    3.058154   2.728642   2.200406   2.738284   3.971371
    16  H    4.122902   3.115128   2.258545   3.250350   4.173919
    17  H    1.091170   2.183608   2.793089   2.968789   4.219461
    18  H    1.092398   2.155516   3.527520   4.061285   5.173875
    19  H    1.091941   2.173982   2.938967   2.876232   3.767542
    20  H    2.765522   2.163737   2.941086   3.504313   3.951692
    21  H    2.750779   2.163506   3.549483   4.534458   5.318914
    22  H    3.463003   2.166976   2.809391   3.955699   4.512095
    23  H    2.818548   3.006084   2.201584   1.086487   2.067688
    24  H    4.688243   3.981373   2.756551   2.105221   1.085457
    25  H    6.878674   6.481059   5.180426   4.072593   2.802534
    26  H    7.052370   7.028880   5.946662   4.599021   3.461008
    27  H    6.398826   6.147690   5.175579   4.073553   2.800490
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215325   0.000000
     8  C    5.563846   6.056867   0.000000
     9  C    5.953695   6.220158   2.618935   0.000000
    10  C    4.987307   5.248970   3.477639   1.543848   0.000000
    11  C    1.512032   2.384497   6.539885   7.197785   6.238488
    12  H    6.585480   7.001742   2.701851   1.090924   2.198821
    13  H    6.707734   6.815059   3.302332   1.090220   2.264341
    14  H    4.109267   4.822301   2.638791   2.665836   2.182771
    15  H    4.961985   4.973937   4.198642   2.202303   1.090098
    16  H    5.417809   5.782886   4.216963   2.268121   1.088939
    17  H    4.980378   4.758250   3.468028   2.723531   2.855003
    18  H    6.066592   6.008648   2.742181   2.890763   3.780782
    19  H    4.469389   4.417277   2.766664   3.496626   3.780872
    20  H    5.078548   5.611379   1.093232   3.545680   4.138936
    21  H    6.529076   6.926168   1.093300   2.974029   4.157732
    22  H    5.896516   6.551056   1.091879   2.823626   3.597689
    23  H    2.627677   2.506129   4.155848   3.780735   2.908131
    24  H    2.207331   3.304084   4.264849   4.889179   4.077398
    25  H    2.148376   3.096837   6.871769   7.344368   6.269087
    26  H    2.145004   2.522461   7.454626   8.073525   7.085711
    27  H    2.148679   3.098639   6.263115   7.308736   6.534866
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.701813   0.000000
    13  H    8.035704   1.772227   0.000000
    14  H    5.022017   2.794317   3.733401   0.000000
    15  H    6.331662   3.073071   2.499579   3.063722   0.000000
    16  H    6.536597   2.499230   2.964733   2.466744   1.768644
    17  H    6.433862   3.779022   2.675564   3.834076   2.485586
    18  H    7.387504   3.668237   2.712624   4.307959   3.808769
    19  H    5.749263   4.324494   3.768042   3.733557   3.784450
    20  H    5.934941   3.734622   4.237798   2.935900   4.771120
    21  H    7.537521   2.991324   3.346067   3.672361   4.797335
    22  H    6.731166   2.506421   3.660005   2.423522   4.512715
    23  H    4.117478   4.658427   4.315154   3.080756   2.616319
    24  H    2.677742   5.201626   5.863405   2.428911   4.533346
    25  H    1.093427   7.752028   8.241184   5.011174   6.431395
    26  H    1.087156   8.648442   8.849264   6.029909   7.056903
    27  H    1.093428   7.731494   8.186471   5.034303   6.760701
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.926545   0.000000
    18  H    4.830284   1.761923   0.000000
    19  H    4.832687   1.764227   1.767329   0.000000
    20  H    4.905057   3.775343   3.109742   2.578557   0.000000
    21  H    4.928437   3.757658   2.535200   3.105761   1.766182
    22  H    4.081484   4.319820   3.742864   3.776787   1.768433
    23  H    3.666026   2.483172   3.890505   2.685834   4.089749
    24  H    4.325271   4.957069   5.690443   4.389414   3.902745
    25  H    6.383839   6.921984   7.931366   6.396638   6.373172
    26  H    7.413890   7.041849   8.061356   6.371093   6.812665
    27  H    6.882617   6.648078   7.358268   5.705097   5.533812
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.767148   0.000000
    23  H    4.960321   4.713235   0.000000
    24  H    5.343058   4.242180   3.046122   0.000000
    25  H    7.923140   6.907627   4.537468   2.677235   0.000000
    26  H    8.414378   7.723422   4.726272   3.740781   1.784191
    27  H    7.232737   6.421754   4.542471   2.671398   1.756392
                   26         27
    26  H    0.000000
    27  H    1.784298   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.01D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1966492           0.4951118           0.4859240
 Leave Link  202 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       607.0736928418 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0445856521 Hartrees.
 Nuclear repulsion after empirical dispersion term =      607.0291071897 Hartrees.
 Leave Link  301 at Thu Aug 12 20:40:44 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.89D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 20:40:45 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:40:45 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:40:46 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 950000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.619696570435    
 DIIS: error= 2.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.619696570435     IErMin= 1 ErrMin= 2.53D-03
 ErrMax= 2.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.03D-03 BMatP= 8.03D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.189 Goal=   None    Shift=    0.000
 GapD=    0.189 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.15D-02 MaxDP=9.79D-01              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.90D-03    CP:  1.28D+00
 E= -465.626585775033     Delta-E=       -0.006889204598 Rises=F Damp=F
 DIIS: error= 6.34D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.626585775033     IErMin= 2 ErrMin= 6.34D-04
 ErrMax= 6.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-04 BMatP= 8.03D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.34D-03
 Coeff-Com:  0.330D-01 0.967D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.328D-01 0.967D+00
 Gap=     0.194 Goal=   None    Shift=    0.000
 RMSDP=5.07D-04 MaxDP=4.90D-02 DE=-6.89D-03 OVMax= 9.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.40D-04    CP:  1.29D+00  1.04D+00
 E= -465.626283866973     Delta-E=        0.000301908060 Rises=F Damp=F
 DIIS: error= 1.13D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.626585775033     IErMin= 2 ErrMin= 6.34D-04
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.61D-04 BMatP= 2.44D-04
 IDIUse=3 WtCom= 2.29D-01 WtEn= 7.71D-01
 Coeff-Com: -0.116D-01 0.632D+00 0.380D+00
 Coeff-En:   0.000D+00 0.681D+00 0.319D+00
 Coeff:     -0.267D-02 0.670D+00 0.333D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=6.54D-03 DE= 3.02D-04 OVMax= 6.11D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.60D-05    CP:  1.29D+00  1.04D+00  7.07D-01
 E= -465.626791843351     Delta-E=       -0.000507976378 Rises=F Damp=F
 DIIS: error= 1.25D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.626791843351     IErMin= 4 ErrMin= 1.25D-04
 ErrMax= 1.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-05 BMatP= 2.44D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
 Coeff-Com: -0.878D-02 0.319D+00 0.177D+00 0.513D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.877D-02 0.318D+00 0.177D+00 0.514D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=3.63D-05 MaxDP=1.41D-03 DE=-5.08D-04 OVMax= 7.50D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.78D-05    CP:  1.29D+00  1.04D+00  6.25D-01  9.25D-01
 E= -465.626806142879     Delta-E=       -0.000014299528 Rises=F Damp=F
 DIIS: error= 2.08D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.626806142879     IErMin= 5 ErrMin= 2.08D-05
 ErrMax= 2.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.57D-07 BMatP= 1.36D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-02 0.337D-01 0.231D-01 0.143D+00 0.802D+00
 Coeff:     -0.175D-02 0.337D-01 0.231D-01 0.143D+00 0.802D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=1.21D-05 MaxDP=6.33D-04 DE=-1.43D-05 OVMax= 1.91D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.06D-06    CP:  1.29D+00  1.04D+00  6.39D-01  9.01D-01  8.70D-01
 E= -465.626806417789     Delta-E=       -0.000000274910 Rises=F Damp=F
 DIIS: error= 9.79D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.626806417789     IErMin= 6 ErrMin= 9.79D-06
 ErrMax= 9.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-07 BMatP= 3.57D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-03 0.277D-02 0.408D-02 0.531D-01 0.458D+00 0.483D+00
 Coeff:     -0.547D-03 0.277D-02 0.408D-02 0.531D-01 0.458D+00 0.483D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=3.33D-06 MaxDP=1.49D-04 DE=-2.75D-07 OVMax= 1.07D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.20D-06    CP:  1.29D+00  1.04D+00  6.39D-01  9.11D-01  8.96D-01
                    CP:  7.26D-01
 E= -465.626806533627     Delta-E=       -0.000000115838 Rises=F Damp=F
 DIIS: error= 2.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.626806533627     IErMin= 7 ErrMin= 2.17D-06
 ErrMax= 2.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-09 BMatP= 1.22D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-03-0.107D-02 0.174D-03 0.134D-01 0.153D+00 0.220D+00
 Coeff-Com:  0.615D+00
 Coeff:     -0.127D-03-0.107D-02 0.174D-03 0.134D-01 0.153D+00 0.220D+00
 Coeff:      0.615D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=8.50D-07 MaxDP=3.35D-05 DE=-1.16D-07 OVMax= 4.01D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.42D-07    CP:  1.29D+00  1.04D+00  6.39D-01  9.13D-01  8.99D-01
                    CP:  7.09D-01  8.82D-01
 E= -465.626806536981     Delta-E=       -0.000000003354 Rises=F Damp=F
 DIIS: error= 9.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.626806536981     IErMin= 8 ErrMin= 9.67D-07
 ErrMax= 9.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-09 BMatP= 4.06D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-04-0.844D-03-0.265D-03 0.211D-02 0.422D-01 0.788D-01
 Coeff-Com:  0.382D+00 0.496D+00
 Coeff:     -0.216D-04-0.844D-03-0.265D-03 0.211D-02 0.422D-01 0.788D-01
 Coeff:      0.382D+00 0.496D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=3.16D-07 MaxDP=1.01D-05 DE=-3.35D-09 OVMax= 1.89D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.91D-07    CP:  1.29D+00  1.04D+00  6.39D-01  9.13D-01  9.01D-01
                    CP:  7.16D-01  8.89D-01  6.87D-01
 E= -465.626806538051     Delta-E=       -0.000000001070 Rises=F Damp=F
 DIIS: error= 2.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.626806538051     IErMin= 9 ErrMin= 2.36D-07
 ErrMax= 2.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.18D-11 BMatP= 1.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.432D-05-0.352D-03-0.146D-03-0.568D-03 0.484D-02 0.160D-01
 Coeff-Com:  0.134D+00 0.262D+00 0.585D+00
 Coeff:      0.432D-05-0.352D-03-0.146D-03-0.568D-03 0.484D-02 0.160D-01
 Coeff:      0.134D+00 0.262D+00 0.585D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=8.63D-08 MaxDP=2.39D-06 DE=-1.07D-09 OVMax= 4.11D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.69D-08    CP:  1.29D+00  1.04D+00  6.39D-01  9.13D-01  9.01D-01
                    CP:  7.17D-01  8.99D-01  6.88D-01  6.98D-01
 E= -465.626806538122     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 4.84D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.626806538122     IErMin=10 ErrMin= 4.84D-08
 ErrMax= 4.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-12 BMatP= 7.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.308D-05-0.114D-03-0.391D-04-0.399D-03-0.879D-04 0.293D-02
 Coeff-Com:  0.408D-01 0.902D-01 0.268D+00 0.598D+00
 Coeff:      0.308D-05-0.114D-03-0.391D-04-0.399D-03-0.879D-04 0.293D-02
 Coeff:      0.408D-01 0.902D-01 0.268D+00 0.598D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=1.88D-08 MaxDP=1.26D-06 DE=-7.05D-11 OVMax= 5.81D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.29D+00  1.04D+00  6.39D-01  9.13D-01  9.01D-01
                    CP:  7.17D-01  8.98D-01  6.90D-01  7.13D-01  8.50D-01
 E= -465.626806538113     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.626806538122     IErMin=11 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-13 BMatP= 3.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.975D-06-0.194D-04 0.315D-06-0.134D-03-0.441D-03-0.779D-04
 Coeff-Com:  0.645D-02 0.162D-01 0.660D-01 0.246D+00 0.666D+00
 Coeff:      0.975D-06-0.194D-04 0.315D-06-0.134D-03-0.441D-03-0.779D-04
 Coeff:      0.645D-02 0.162D-01 0.660D-01 0.246D+00 0.666D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=5.02D-09 MaxDP=2.49D-07 DE= 8.19D-12 OVMax= 1.08D-07

 SCF Done:  E(RB3LYP) =  -465.626806538     A.U. after   11 cycles
            NFock= 11  Conv=0.50D-08     -V/T= 2.0117
 KE= 4.602616250232D+02 PE=-2.292284070974D+03 EE= 7.593665322234D+02
 Leave Link  502 at Thu Aug 12 20:43:35 2021, MaxMem=  5368709120 cpu:            1343.5 elap:             168.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.44552479D+02

 Leave Link  801 at Thu Aug 12 20:43:35 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 7.17D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.93D-01 9.81D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 6.69D-02 1.03D-01.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 9.75D-03 2.94D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 1.65D-03 9.92D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 6.53D-05 1.04D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.43D-06 1.54D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.66D-08 3.39D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.45D-10 5.25D-06.
      8 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 4.93D-12 4.84D-07.
      3 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 6.10D-14 3.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.177286D+03
      2  0.603415D+01  0.109423D+03
      3 -0.230375D+01 -0.302418D+01  0.114009D+03
 Isotropic polarizability for W=    0.085645      133.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.100979D+03  0.279399D+02 -0.143157D+01
      2  -0.802644D+02 -0.397336D+00  0.232510D+01
      3  -0.207145D+02 -0.275426D+02 -0.893531D+00
      4   0.369459D+02 -0.970195D+02 -0.349730D+02
      5  -0.251023D+02 -0.343490D+02 -0.937107D+01
      6  -0.168511D+02 -0.274993D+02  0.109528D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.481820D+01 -0.685493D+01 -0.738866D+01
      2   0.353363D+02 -0.118452D+02 -0.507666D+01
      3  -0.276034D+02  0.404364D+02  0.155895D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.624020D+00 -0.298244D+02 -0.384954D+02
      2   0.236708D+02 -0.181219D+02  0.113434D+02
      3   0.900600D+01  0.167551D+02  0.174979D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.202817D+01 -0.788953D+01  0.506185D+01
      2  -0.788953D+01  0.855190D+00 -0.532762D+01
      3   0.506185D+01 -0.532762D+01 -0.395723D+01
 OR G Eigenvalues:    -7.3972    -6.2801    12.6035  Iso=     0.3580
 Eigenvectors:
   (1)   0.013960   0.551711   0.833918
   (2)   0.748210   0.547494  -0.374741
   (3)   0.663315  -0.629178   0.405153
 w=    0.085645 a.u., Optical Rotation Beta=      0.3580 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      111.52 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 3.16D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.49D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.01D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 4.25D-02 6.30D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.89D-03 7.92D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.40D-05 5.95D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 3.71D-07 5.66D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.63D-09 5.42D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 8.41D-12 2.51D-07.
     14 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.85D-14 1.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   224 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.43D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.177286D+03  0.603415D+01 -0.230375D+01
      2   0.603415D+01  0.109423D+03 -0.302418D+01
      3  -0.230375D+01 -0.302418D+01  0.114009D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.481820D+01 -0.685493D+01 -0.738866D+01
      2   0.353363D+02 -0.118452D+02 -0.507666D+01
      3  -0.276034D+02  0.404364D+02  0.155895D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.100979D+03  0.279399D+02 -0.143157D+01
      2  -0.802644D+02 -0.397336D+00  0.232510D+01
      3  -0.207145D+02 -0.275426D+02 -0.893531D+00
      4   0.369459D+02 -0.970195D+02 -0.349730D+02
      5  -0.251023D+02 -0.343490D+02 -0.937107D+01
      6  -0.168511D+02 -0.274993D+02  0.109528D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.415909D+01 -0.448645D+01 -0.438604D+01 -0.499588D+01 -0.167236D+01
      2  -0.448645D+01 -0.184747D+01  0.785637D+00 -0.167236D+01  0.161939D+01
      3  -0.438604D+01  0.785637D+00  0.145926D+01  0.109918D+01 -0.405680D+01
                 6             7             8             9            10 
      1   0.109918D+01 -0.326798D+01  0.116295D+01  0.147995D+01 -0.288054D+02
      2  -0.405680D+01  0.116295D+01 -0.329827D+01  0.512463D+00  0.748847D+01
      3   0.998634D+00  0.147995D+01  0.512463D+00  0.310732D+01  0.346651D+01
                11            12            13            14            15 
      1   0.748847D+01  0.346651D+01  0.122488D+02 -0.120456D+01 -0.148845D+01
      2   0.147617D+01 -0.574453D+00 -0.120456D+01  0.103126D+01  0.295966D+01
      3  -0.574453D+00 -0.174352D+01 -0.148845D+01  0.295966D+01 -0.949594D-01
                16            17            18            19            20 
      1   0.170955D+02 -0.217372D+01 -0.255654D+01  0.570945D+02 -0.666500D-01
      2  -0.217372D+01  0.406122D+01  0.560720D+00 -0.666500D-01  0.460796D+01
      3  -0.255654D+01  0.560720D+00 -0.468091D+01  0.315149D+00  0.129490D+01
                21            22            23            24            25 
      1   0.315149D+00 -0.541306D+01  0.100226D+02  0.329140D+01 -0.543160D+01
      2   0.129490D+01  0.100226D+02  0.125749D+01 -0.494290D+00  0.254684D+01
      3   0.659117D+00  0.329140D+01 -0.494290D+00 -0.291991D+01  0.955230D+00
                26            27            28            29            30 
      1   0.254684D+01  0.955230D+00 -0.701845D+02 -0.344443D+01 -0.101176D+01
      2  -0.105383D+01 -0.245939D+01 -0.344443D+01 -0.324819D+01 -0.689748D+00
      3  -0.245939D+01  0.507438D+01 -0.101176D+01 -0.689748D+00 -0.163568D+01
                31            32            33            34            35 
      1  -0.119771D+02 -0.627042D+01 -0.210955D+01  0.879628D+01 -0.343245D+00
      2  -0.627042D+01 -0.318814D+01 -0.383135D+00 -0.343245D+00  0.458252D+00
      3  -0.210955D+01 -0.383135D+00  0.160326D+01 -0.223864D+01  0.180901D+01
                36            37            38            39            40 
      1  -0.223864D+01  0.613264D+02  0.310053D+01  0.352781D+01  0.136650D+02
      2   0.180901D+01  0.310053D+01  0.173983D+01  0.739488D+00  0.469955D+01
      3  -0.346452D+01  0.352781D+01  0.739488D+00  0.137393D+01  0.142777D+01
                41            42            43            44            45 
      1   0.469955D+01  0.142777D+01 -0.123531D+02 -0.665271D+00  0.393783D+01
      2   0.255250D+01 -0.623365D+00 -0.665271D+00 -0.139414D+01 -0.196250D+01
      3  -0.623365D+00 -0.210433D+01  0.393783D+01 -0.196250D+01  0.282140D+01
                46            47            48            49            50 
      1  -0.193230D+02 -0.691886D+00 -0.310014D+01  0.762422D+01  0.682885D+00
      2  -0.691886D+00  0.786636D+00  0.172048D+00  0.682885D+00  0.731414D+00
      3  -0.310014D+01  0.172048D+00  0.368907D+00  0.349532D+01 -0.820554D+00
                51            52            53            54            55 
      1   0.349532D+01 -0.308892D+02  0.126353D+01 -0.959990D+01  0.571441D+01
      2  -0.820554D+00  0.126353D+01  0.658033D-01  0.109656D+01 -0.760350D+00
      3   0.189345D+01 -0.959990D+01  0.109656D+01 -0.634582D+01  0.268927D+01
                56            57            58            59            60 
      1  -0.760350D+00  0.268927D+01 -0.106532D+02  0.214134D+01 -0.330713D+01
      2   0.363333D+00 -0.498226D+00  0.214134D+01 -0.205667D+01  0.298628D+01
      3  -0.498226D+00  0.117061D+01 -0.330713D+01  0.298628D+01 -0.181388D+01
                61            62            63            64            65 
      1   0.308117D+02 -0.610430D+00  0.110337D+02  0.920522D+01 -0.607785D+01
      2  -0.610430D+00  0.153843D+01 -0.141382D+01 -0.607785D+01 -0.144346D+01
      3   0.110337D+02 -0.141382D+01  0.113276D+02 -0.183138D+01  0.984215D+00
                66            67            68            69            70 
      1  -0.183138D+01 -0.618306D+01 -0.888343D+00  0.119924D+01 -0.641899D+01
      2   0.984215D+00 -0.888343D+00 -0.100415D+01 -0.256090D+01  0.168014D+01
      3   0.132343D+01  0.119924D+01 -0.256090D+01  0.119278D+01  0.172626D+01
                71            72            73            74            75 
      1   0.168014D+01  0.172626D+01  0.789953D+00  0.962237D+00 -0.119821D+01
      2  -0.308701D+01 -0.465233D-01  0.962237D+00 -0.399990D+01 -0.189405D+01
      3  -0.465233D-01  0.671901D+01 -0.119821D+01 -0.189405D+01  0.309607D+01
                76            77            78            79            80 
      1   0.155117D+01 -0.451104D+01 -0.277669D+01 -0.211422D+01 -0.260481D+01
      2  -0.451104D+01 -0.298336D+01 -0.117145D+01 -0.260481D+01 -0.152306D+01
      3  -0.277669D+01 -0.117145D+01 -0.690295D+00  0.474936D+01 -0.174594D+00
                81            82            83            84            85 
      1   0.474936D+01 -0.119316D+02 -0.759141D+01 -0.154586D+01 -0.840899D+01
      2  -0.174594D+00 -0.759141D+01 -0.211373D+01  0.869064D+00 -0.446904D+01
      3   0.227294D+01 -0.154586D+01  0.869064D+00 -0.572022D+00  0.480975D+00
                86            87            88            89            90 
      1  -0.446904D+01  0.480975D+00  0.732906D+01  0.237042D+01  0.402157D-01
      2   0.174582D+01  0.123435D+01  0.237042D+01  0.249392D+01  0.483695D+01
      3   0.123435D+01  0.358030D+01  0.402157D-01  0.483695D+01 -0.440759D+00
                91            92            93            94            95 
      1  -0.220627D+01  0.150973D+01 -0.477703D+01  0.262111D+01 -0.577598D+00
      2   0.150973D+01  0.108982D+01 -0.108390D+01 -0.577598D+00 -0.442634D+01
      3  -0.477703D+01 -0.108390D+01 -0.111790D+01 -0.906333D+00  0.352419D+01
                96            97            98            99           100 
      1  -0.906333D+00 -0.750683D+01 -0.833692D+00 -0.384100D+01 -0.474762D+01
      2   0.352419D+01 -0.833692D+00  0.283242D+01  0.100278D+01 -0.236886D+00
      3   0.160005D+01 -0.384100D+01  0.100278D+01  0.435218D+01 -0.255653D+01
               101           102           103           104           105 
      1  -0.236886D+00 -0.255653D+01  0.751872D+00 -0.543932D+00  0.720282D+00
      2  -0.453600D+00  0.108993D+00 -0.543932D+00  0.470500D+00 -0.637977D+00
      3   0.108993D+00 -0.246105D+01  0.720282D+00 -0.637977D+00  0.688742D+00
               106           107           108           109           110 
      1  -0.429073D+01  0.235063D+00 -0.416516D+01 -0.765799D+01 -0.200428D+01
      2   0.235063D+00 -0.139116D+01 -0.137303D+00 -0.200428D+01 -0.104680D+01
      3  -0.416516D+01 -0.137303D+00 -0.521992D+01  0.258343D+01  0.795471D+00
               111           112           113           114           115 
      1   0.258343D+01 -0.153989D+01 -0.146150D+01  0.886730D+00  0.537011D+01
      2   0.795471D+00 -0.146150D+01 -0.110113D+01  0.849611D+00  0.157860D+01
      3  -0.210627D+01  0.886730D+00  0.849611D+00 -0.543859D+00 -0.355763D+01
               116           117           118           119           120 
      1   0.157860D+01 -0.355763D+01  0.139082D+00  0.458181D+00 -0.891039D+00
      2   0.157811D+01 -0.857582D+00  0.458181D+00 -0.290805D+00 -0.221739D+00
      3  -0.857582D+00  0.262559D+01 -0.891039D+00 -0.221739D+00  0.326037D+00
               121           122           123           124           125 
      1   0.174038D+01 -0.645217D+00 -0.752972D-01 -0.106928D+01 -0.561203D-02
      2  -0.645217D+00  0.592870D+00 -0.100613D+01 -0.561203D-02 -0.147466D+01
      3  -0.752972D-01 -0.100613D+01  0.144893D+01 -0.252352D+00  0.936244D+00
               126           127           128           129           130 
      1  -0.252352D+00  0.988634D+00 -0.980698D-01  0.678991D+00  0.488940D+00
      2   0.936244D+00 -0.980698D-01  0.122101D+01 -0.532820D+00  0.381247D+00
      3  -0.696946D+01  0.678991D+00 -0.532820D+00  0.620149D+00 -0.240086D+00
               131           132           133           134           135 
      1   0.381247D+00 -0.240086D+00  0.116278D+01 -0.246753D+00  0.919271D-01
      2  -0.419744D+01  0.179475D+01 -0.246753D+00  0.347468D+01 -0.277825D+01
      3   0.179475D+01 -0.192333D+01  0.919271D-01 -0.277825D+01  0.343898D+01
               136           137           138           139           140 
      1   0.182222D+01 -0.297833D+00 -0.527711D+00  0.151192D+01 -0.821611D+00
      2  -0.297833D+00  0.331683D+00 -0.166785D-01 -0.821611D+00 -0.665947D+01
      3  -0.527711D+00 -0.166785D-01  0.106837D+00 -0.471361D+00 -0.328889D+01
               141           142           143           144           145 
      1  -0.471361D+00 -0.286412D+01 -0.141259D+01 -0.835918D+00  0.380162D+00
      2  -0.328889D+01 -0.141259D+01 -0.540871D+01 -0.432173D+01 -0.343590D+00
      3  -0.261358D+01 -0.835918D+00 -0.432173D+01 -0.406616D+01  0.966000D+00
               146           147           148           149           150 
      1  -0.343590D+00  0.966000D+00 -0.509735D+00  0.613253D+00 -0.941744D-01
      2   0.649333D+00 -0.308119D+00  0.613253D+00 -0.423984D+01  0.242091D+01
      3  -0.308119D+00  0.430658D+00 -0.941744D-01  0.242091D+01 -0.350674D+01
               151           152           153           154           155 
      1   0.705572D+00 -0.231001D+00  0.684639D-01 -0.684035D+01  0.255484D+01
      2  -0.231001D+00  0.198967D+01 -0.193767D+01  0.255484D+01 -0.169266D+01
      3   0.684639D-01 -0.193767D+01  0.279247D+01  0.387853D+01 -0.147292D+01
               156           157           158           159           160 
      1   0.387853D+01  0.194236D+01 -0.154096D+01 -0.132483D+01  0.156993D+01
      2  -0.147292D+01 -0.154096D+01  0.161181D+01  0.170951D+01 -0.954225D+00
      3  -0.366689D+01 -0.132483D+01  0.170951D+01  0.152858D+01 -0.243384D+01
               161           162           163           164           165 
      1  -0.954225D+00 -0.243384D+01  0.344486D+01  0.195233D+01  0.131842D+01
      2   0.996668D+00  0.108609D+01  0.195233D+01  0.243117D+01  0.120670D+01
      3   0.108609D+01  0.261803D+01  0.131842D+01  0.120670D+01  0.206356D+01
               166           167           168           169           170 
      1   0.153332D+01  0.160809D+01  0.627025D+00  0.265210D+00  0.468955D+00
      2   0.160809D+01  0.297741D+01  0.190714D+01  0.468955D+00  0.953407D+00
      3   0.627025D+00  0.190714D+01  0.179636D+01  0.807251D+00  0.925348D+00
               171           172           173           174           175 
      1   0.807251D+00  0.219346D+01  0.227174D+01  0.395641D+00  0.172209D+01
      2   0.925348D+00  0.227174D+01  0.433470D+01 -0.179572D+00  0.172154D+01
      3   0.121112D+01  0.395641D+00 -0.179572D+00  0.857309D+00  0.578359D-02
               176           177           178           179           180 
      1   0.172154D+01  0.578359D-02  0.776017D+00 -0.690787D-01  0.271455D+00
      2   0.550002D+01  0.217595D+00 -0.690787D-01  0.117870D+01  0.821720D+00
      3   0.217595D+00  0.628970D+00  0.271455D+00  0.821720D+00 -0.262534D+00
               181           182           183           184           185 
      1  -0.809146D+01  0.478339D+01  0.116214D+01  0.167703D+01 -0.276171D+01
      2   0.478339D+01 -0.342826D+01 -0.525693D+00 -0.276171D+01  0.322977D+01
      3   0.116214D+01 -0.525693D+00 -0.142023D+01 -0.714801D+00  0.732573D+00
               186           187           188           189           190 
      1  -0.714801D+00  0.362442D+01 -0.175363D+01 -0.149170D+01 -0.142887D+01
      2   0.732573D+00 -0.175363D+01  0.211315D+01  0.894660D+00  0.837919D+00
      3   0.444098D+00 -0.149170D+01  0.894660D+00  0.567234D+00 -0.997433D+00
               191           192           193           194           195 
      1   0.837919D+00 -0.997433D+00  0.352318D+00  0.259024D-01 -0.136107D+00
      2  -0.692254D-01  0.676328D-01  0.259024D-01 -0.145303D+00 -0.643911D+00
      3   0.676328D-01 -0.999774D+00 -0.136107D+00 -0.643911D+00 -0.513306D+00
               196           197           198           199           200 
      1  -0.131968D+01  0.441987D+00 -0.198719D+01 -0.144838D+01 -0.512847D+00
      2   0.441987D+00 -0.163180D+01  0.127159D+01 -0.512847D+00  0.272718D-02
      3  -0.198719D+01  0.127159D+01 -0.831508D+01  0.795141D+00 -0.586738D-01
               201           202           203           204           205 
      1   0.795141D+00 -0.137635D+01  0.103765D+01  0.407815D+00  0.205018D+01
      2  -0.586738D-01  0.103765D+01 -0.790710D+00  0.118102D+01  0.615931D+00
      3  -0.275004D-02  0.407815D+00  0.118102D+01 -0.131408D+01 -0.457702D+00
               206           207           208           209           210 
      1   0.615931D+00 -0.457702D+00  0.146049D+01  0.669914D+00 -0.118476D+01
      2   0.139762D+01 -0.132330D+01  0.669914D+00  0.598564D-01 -0.511659D-01
      3  -0.132330D+01  0.477167D+01 -0.118476D+01 -0.511659D-01 -0.248329D+00
               211           212           213           214           215 
      1   0.978395D+00 -0.213579D+00 -0.734280D+00 -0.187878D+01 -0.564039D+00
      2  -0.213579D+00  0.644816D+00 -0.101105D+01 -0.564039D+00 -0.128110D+01
      3  -0.734280D+00 -0.101105D+01  0.191795D+01  0.936880D+00  0.180113D+01
               216           217           218           219           220 
      1   0.936880D+00  0.309227D+01 -0.787145D+00 -0.560345D+00 -0.241818D+01
      2   0.180113D+01 -0.787145D+00  0.206215D+00  0.486094D+00  0.121986D+01
      3  -0.645144D+01 -0.560345D+00  0.486094D+00  0.768812D+00  0.152381D+01
               221           222           223           224           225 
      1   0.121986D+01  0.152381D+01 -0.397600D+01  0.241259D+00  0.357986D+01
      2  -0.137543D+01 -0.221490D+01  0.241259D+00 -0.214421D+01 -0.168836D+01
      3  -0.221490D+01 -0.290440D+01  0.357986D+01 -0.168836D+01 -0.676940D+01
               226           227           228           229           230 
      1   0.950738D+01  0.213011D+00  0.231828D+01 -0.634235D+00  0.121638D+01
      2   0.213011D+00  0.101306D+01  0.177886D+00  0.121638D+01  0.372540D+00
      3   0.231828D+01  0.177886D+00  0.161177D+01  0.105409D+00  0.985867D-01
               231           232           233           234           235 
      1   0.105409D+00  0.514658D+01  0.399580D+00  0.222063D+01  0.134720D+01
      2   0.985867D-01  0.399580D+00  0.600238D+00 -0.500670D-01  0.597386D+00
      3  -0.279420D+00  0.222063D+01 -0.500670D-01  0.153911D+01  0.472924D+00
               236           237           238           239           240 
      1   0.597386D+00  0.472924D+00  0.370073D+01  0.221157D+01 -0.891650D+00
      2  -0.679392D+00  0.419623D+00  0.221157D+01  0.783038D+01 -0.270282D+01
      3   0.419623D+00 -0.262062D+00 -0.891650D+00 -0.270282D+01  0.189999D+01
               241           242           243 
      1  -0.132289D+01 -0.537158D+00  0.151857D+01
      2  -0.537158D+00 -0.204432D+01  0.159584D+01
      3   0.151857D+01  0.159584D+01 -0.225305D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.591502D+01 -0.468258D+01  0.905961D+00 -0.369658D+01  0.716459D+01
      2   0.788753D+01  0.818936D+01  0.910574D+01  0.629916D+01  0.127279D+02
      3  -0.876419D+01 -0.939770D+01 -0.192371D+01 -0.451207D+01  0.120461D+01
                 6             7             8             9            10 
      1  -0.133161D+02 -0.686288D+00 -0.611683D+01  0.808908D+00 -0.263593D+01
      2  -0.406494D+01  0.501366D+00 -0.214994D+01 -0.794518D+01 -0.245844D+02
      3  -0.673618D+01 -0.830290D-02 -0.611269D+01  0.179619D+01  0.181269D+02
                11            12            13            14            15 
      1   0.252319D+01  0.105873D+01  0.436991D+01 -0.505889D+01 -0.377608D+01
      2   0.183678D+01  0.777969D+01  0.416294D+01 -0.102958D+02 -0.890909D+00
      3   0.453596D+01  0.250674D+01  0.149993D+02  0.699120D+01  0.682963D+01
                16            17            18            19            20 
      1   0.370235D+01  0.691621D+01  0.376933D+01  0.218637D+00 -0.138678D+01
      2   0.111972D+02 -0.157250D+01  0.104724D+02  0.328491D+02  0.972736D+00
      3  -0.582614D+01  0.776715D+01 -0.114671D-01 -0.254696D+02 -0.638006D+01
                21            22            23            24            25 
      1  -0.116492D+01 -0.879770D+01 -0.283398D+01 -0.310121D+01 -0.373974D+01
      2   0.302294D+01 -0.329569D+01  0.717760D+01  0.520169D+01 -0.170492D+02
      3  -0.882838D+00  0.524565D+00 -0.815830D+01 -0.222554D+01  0.183823D+00
                26            27            28            29            30 
      1   0.205914D+01  0.501857D+01  0.360446D+01 -0.656606D+00  0.406411D-01
      2   0.350839D+01 -0.346190D+01 -0.404337D+02 -0.378407D+01 -0.444537D+01
      3  -0.348568D+01 -0.179020D+01  0.212297D+02  0.680129D+01  0.153668D+01
                31            32            33            34            35 
      1   0.517647D+01  0.271678D+01 -0.227843D+01  0.297918D+01  0.176807D+00
      2  -0.135499D+02 -0.385563D+01 -0.116237D+01 -0.149532D+02 -0.173586D+01
      3   0.369217D+02  0.709417D+01  0.855783D-01  0.302409D+01  0.148830D+01
                36            37            38            39            40 
      1  -0.426967D+01 -0.226511D+01 -0.821897D+00 -0.628739D+00 -0.812772D+01
      2  -0.143032D+01  0.453948D+02  0.294556D+01  0.131767D+02  0.153036D+02
      3  -0.694330D-01 -0.173717D+02 -0.111080D+02 -0.165684D+01 -0.948472D+01
                41            42            43            44            45 
      1  -0.302888D+00 -0.517812D+01  0.187781D+01 -0.224431D+00 -0.963444D+00
      2   0.277516D+01 -0.154634D+01 -0.142553D+02 -0.381503D+01  0.637524D+01
      3  -0.586754D+01  0.442840D+00 -0.617307D+00 -0.152096D+01  0.100647D+01
                46            47            48            49            50 
      1  -0.202750D+00  0.241465D+01  0.273126D+01 -0.748490D+01  0.415893D+01
      2  -0.101288D+02 -0.267340D+01 -0.514929D+01  0.788385D+01 -0.203821D+01
      3   0.203146D+01  0.129207D+02  0.501288D+01  0.239502D+02  0.753271D+00
                51            52            53            54            55 
      1  -0.767520D+01  0.170521D+01 -0.380829D+01 -0.281459D+01  0.147929D+01
      2   0.776854D+01 -0.547897D+02  0.916121D+00 -0.300645D+02  0.169964D+01
      3   0.174893D+01  0.600488D+01  0.104297D+02 -0.143248D+01 -0.202514D+00
                56            57            58            59            60 
      1  -0.569428D+00 -0.616543D+00  0.436164D+00 -0.291911D+01 -0.157099D+01
      2  -0.142966D+01  0.792595D+01 -0.108828D+02  0.888446D+01 -0.942400D+01
      3  -0.774046D+01  0.142805D+00 -0.648657D+01  0.700418D+01 -0.790578D+01
                61            62            63            64            65 
      1  -0.123464D+01  0.898417D+01  0.673519D+00  0.878209D+01 -0.175297D+01
      2   0.346308D+02 -0.448345D+01  0.457328D+02  0.983256D+01 -0.683874D+01
      3  -0.546805D+01 -0.137110D+02  0.284235D+01 -0.119300D+02 -0.205568D+02
                66            67            68            69            70 
      1  -0.406486D+01 -0.163221D+01  0.766256D+01 -0.170293D+01 -0.775828D+01
      2  -0.232483D+01 -0.573479D+01  0.538791D+01 -0.189388D+01 -0.105220D+02
      3  -0.180158D+01 -0.901163D+01 -0.758148D+01 -0.427686D+01  0.991178D+00
                71            72            73            74            75 
      1   0.515167D+01 -0.161736D+02 -0.283053D+00 -0.179542D+01  0.368889D+01
      2   0.132314D+01 -0.159123D+02  0.486237D+01  0.815216D+01 -0.103409D+02
      3  -0.497375D+01  0.353722D+01  0.558246D+01 -0.219062D+02 -0.789053D+01
                76            77            78            79            80 
      1  -0.160613D+01 -0.410686D+00 -0.241332D+01  0.536639D+01  0.180972D+01
      2   0.107746D+02  0.299688D+01  0.733173D+00 -0.235312D+02 -0.187311D+01
      3  -0.139214D+02 -0.526085D+01 -0.242833D+01 -0.893624D+01 -0.167116D+01
                81            82            83            84            85 
      1   0.220466D+01  0.207751D+01  0.451048D+01 -0.197226D+01  0.614006D+01
      2  -0.596835D+01 -0.713242D+01 -0.711212D+01  0.176233D+01 -0.924828D+01
      3  -0.488684D+01 -0.409728D+01  0.832052D+01  0.330181D+01  0.213795D+02
                86            87            88            89            90 
      1   0.427103D+01  0.673674D+01 -0.313804D+01  0.157212D+02 -0.351370D+01
      2  -0.529253D+01 -0.559373D+01  0.823167D+00 -0.654038D+01  0.142820D+01
      3   0.984517D+01  0.451944D+00  0.316431D+01  0.128453D+00  0.100571D+02
                91            92            93            94            95 
      1   0.303319D+00 -0.242508D+01  0.108145D+01  0.738841D+01  0.308051D+01
      2  -0.199838D+02 -0.274971D+01 -0.472631D+01 -0.372026D+01  0.150627D+02
      3  -0.825571D+01 -0.107356D+02  0.244795D+01  0.160913D+02  0.215308D+02
                96            97            98            99           100 
      1  -0.841370D+01  0.530621D+01 -0.694677D+00 -0.415144D+01 -0.199037D+01
      2   0.798195D+01 -0.261531D+02  0.341670D+01  0.159136D+02  0.560816D+01
      3  -0.202688D+02  0.460792D+01 -0.111370D+02 -0.725054D+01  0.342664D+01
               101           102           103           104           105 
      1   0.111685D+01 -0.215808D+01  0.570928D+00 -0.115823D+01  0.266142D-01
      2  -0.878252D+00  0.912227D+01 -0.216074D+01  0.192614D+01 -0.224588D+01
      3  -0.257850D+01  0.278435D+01 -0.179406D+00  0.284687D+01 -0.260471D+01
               106           107           108           109           110 
      1  -0.345436D+01  0.299285D+01 -0.441869D+01  0.279162D+01 -0.100147D+00
      2   0.981249D+01  0.121833D+00  0.167925D+02 -0.100057D+02 -0.316617D+01
      3   0.478153D+01 -0.613033D+01  0.335967D+01  0.122609D+01 -0.437879D+01
               111           112           113           114           115 
      1  -0.268040D+01  0.162133D+01  0.537493D+00 -0.156489D+01 -0.309158D+01
      2   0.104008D+02 -0.358344D+01 -0.341622D+01  0.257233D+01  0.115262D+02
      3   0.256399D+00 -0.597012D+00 -0.254120D+01  0.202180D+01  0.762359D+00
               116           117           118           119           120 
      1   0.844196D+00  0.320027D+01 -0.793492D+00 -0.584898D-01  0.185520D+00
      2   0.286283D+01 -0.115753D+02  0.289662D+01  0.472732D+00  0.506771D+00
      3   0.562300D+01  0.526402D+00  0.333135D+00 -0.957278D+00  0.484603D+00
               121           122           123           124           125 
      1  -0.178777D+01 -0.165033D+01  0.267087D+00 -0.740629D+00  0.434156D+01
      2   0.927489D+00  0.645978D-01 -0.178297D+01 -0.374487D+01 -0.792386D+00
      3   0.275761D+01  0.478903D+00 -0.450504D+00  0.841948D+00 -0.103799D+01
               126           127           128           129           130 
      1  -0.373013D+01  0.233995D+01 -0.137214D+01  0.225931D+01 -0.107973D+01
      2   0.668129D+01 -0.951407D+00  0.115730D+01 -0.823307D-01  0.178303D+01
      3   0.110290D+01 -0.249030D+01  0.951441D+00 -0.270918D+01  0.203149D+01
               131           132           133           134           135 
      1   0.495100D+01 -0.660575D+01  0.766279D+00 -0.553005D+01  0.112952D+02
      2  -0.286314D+01  0.309090D+01 -0.168974D+01  0.466504D+01 -0.572367D+01
      3  -0.834424D+01  0.399239D+01 -0.448546D+01  0.679431D+01 -0.613712D+01
               136           137           138           139           140 
      1  -0.170157D+01 -0.585799D+00  0.297076D+00 -0.501230D+00 -0.234617D+01
      2   0.206654D+01  0.735945D-01  0.483783D+00  0.454229D+00  0.512870D+01
      3  -0.182779D+01  0.153016D+00  0.105189D+01  0.147113D+01 -0.113769D+02
               141           142           143           144           145 
      1  -0.637964D+01  0.214888D+00 -0.439607D+01 -0.769785D+01 -0.146577D+01
      2   0.452930D+01 -0.241737D+01  0.654087D+01  0.644736D+01 -0.426742D+01
      3  -0.531536D+01  0.237484D+01 -0.821700D+01 -0.730956D+01 -0.651483D+00
               146           147           148           149           150 
      1   0.241143D+01 -0.613139D+00  0.202656D+01 -0.132093D+02  0.430146D+01
      2   0.176620D+01 -0.169135D+01  0.358830D+01 -0.685978D+01  0.732311D+01
      3   0.450841D+00  0.114078D-01  0.277232D+01 -0.693914D+01  0.392127D+01
               151           152           153           154           155 
      1  -0.542686D+00  0.684216D+01 -0.478838D+01  0.203831D+01 -0.330254D+01
      2  -0.322803D+01  0.466406D+01 -0.568415D+01  0.444037D+01 -0.137431D+01
      3  -0.602723D+00  0.306864D+01 -0.328913D+01  0.636960D+00 -0.398132D+01
               156           157           158           159           160 
      1   0.824589D+00 -0.189197D+01  0.193900D+01  0.548476D+00 -0.577665D+00
      2   0.385805D+01 -0.267707D+01 -0.120503D+01 -0.155977D+01 -0.240348D+01
      3  -0.726253D+00 -0.609337D+00  0.298947D+01  0.254335D+01  0.465945D+00
               161           162           163           164           165 
      1   0.276346D+01 -0.313955D+00  0.268377D+01  0.467923D+01 -0.609057D+00
      2  -0.606032D-01 -0.143788D+01 -0.129470D+02 -0.716700D+01 -0.527525D+01
      3   0.205828D+01  0.456546D+00  0.885612D+01  0.479144D+01  0.330959D+01
               166           167           168           169           170 
      1   0.273654D+01  0.438230D+01  0.121908D+00  0.337830D+00  0.264216D+01
      2  -0.669536D+01 -0.788623D+01 -0.403358D+01 -0.439054D+01 -0.311339D+01
      3   0.667289D+01  0.625326D+01  0.427654D+01  0.138433D+01  0.184006D+01
               171           172           173           174           175 
      1   0.710555D+00 -0.248017D+01 -0.190104D+01 -0.329014D+01 -0.133462D+01
      2  -0.399983D+01  0.109060D+01  0.194146D+01 -0.280223D-02  0.137478D+01
      3   0.284279D+01  0.151363D+02  0.148692D+02  0.731445D+00  0.108215D+02
               176           177           178           179           180 
      1  -0.368534D+01 -0.354695D+01 -0.760756D+00 -0.843990D+00 -0.192249D-01
      2   0.112412D+01 -0.533527D+00 -0.113803D+01 -0.171016D+01  0.803870D+00
      3   0.182712D+02  0.609016D+00  0.151868D+01  0.275608D+01  0.283631D+01
               181           182           183           184           185 
      1  -0.525931D+01  0.289919D+01  0.482200D+01  0.323629D+01 -0.339713D+01
      2  -0.689242D+01  0.384811D+01  0.692679D+01  0.280430D+01 -0.350763D+01
      3  -0.259530D+01 -0.295524D+01  0.140514D+01  0.193166D+01  0.414322D+01
               186           187           188           189           190 
      1  -0.291120D+01  0.380380D+01 -0.140819D+01 -0.202905D+01  0.140645D+01
      2  -0.265154D+01  0.467670D+01 -0.277272D+01 -0.282914D+01  0.151272D+01
      3   0.588997D+00  0.900471D-01  0.355730D+01 -0.506312D+00  0.684394D+00
               191           192           193           194           195 
      1   0.153568D+00  0.227380D+01 -0.131001D+00  0.200528D+01  0.458708D+00
      2   0.163508D+00  0.256290D+01  0.158891D+00  0.155085D+01  0.125158D+01
      3   0.297936D+00 -0.146254D+01  0.930708D+00 -0.432384D+00 -0.157253D+01
               196           197           198           199           200 
      1   0.374045D+01  0.248123D+01  0.173906D+02 -0.136223D+00  0.554140D+00
      2   0.848948D+00 -0.249481D+01  0.192172D+02 -0.109286D+01 -0.505822D+00
      3  -0.190850D+01 -0.391924D+01  0.608058D+00  0.117687D+01 -0.663138D-01
               201           202           203           204           205 
      1  -0.174768D+00  0.492690D+01 -0.139484D+00 -0.139997D+01  0.920693D+00
      2  -0.535936D+00  0.180677D+01  0.189987D+01  0.222977D-01 -0.426111D+01
      3  -0.534761D+00  0.467696D+00  0.331455D+00 -0.898551D+00 -0.282267D+01
               206           207           208           209           210 
      1   0.247374D+01  0.401625D+01 -0.165445D+01 -0.180014D-01 -0.458408D-01
      2   0.709289D+00  0.339921D+01 -0.132270D+01  0.473609D+00 -0.845081D+00
      3  -0.163453D+01  0.353197D+00 -0.311337D+01 -0.729374D+00 -0.741662D-01
               211           212           213           214           215 
      1   0.649717D+01 -0.708523D+00  0.263598D+00  0.226364D+01  0.433677D+01
      2  -0.169549D+01 -0.215519D+01  0.301349D+01 -0.302975D+01  0.282108D+01
      3   0.101637D+02 -0.401993D+00  0.242142D+01  0.365865D+01  0.316790D+01
               216           217           218           219           220 
      1  -0.207598D+00  0.225074D+00 -0.541512D+00 -0.885626D+00 -0.264705D+01
      2  -0.107020D+02  0.478741D+00  0.139737D+01  0.395530D+01  0.492468D+01
      3  -0.347882D+01  0.136763D+01 -0.266551D+01 -0.212453D+01 -0.869688D+01
               221           222           223           224           225 
      1   0.285617D+01  0.275641D+01 -0.306002D+01  0.429482D+01  0.526898D+01
      2  -0.859440D+01 -0.121487D+02  0.104687D+02 -0.730565D+01 -0.265888D+02
      3   0.629456D+01  0.112540D+02 -0.487745D+01  0.919749D+01  0.107275D+02
               226           227           228           229           230 
      1  -0.156679D+01 -0.391432D-01 -0.108206D+01 -0.915762D+00 -0.357930D+00
      2   0.166740D+02  0.842700D+00  0.112488D+02  0.261574D+00  0.790495D+00
      3   0.312701D+01 -0.622922D+01  0.580047D+00 -0.304785D+01 -0.896468D+00
               231           232           233           234           235 
      1  -0.522082D+00 -0.124363D+01  0.891068D+00 -0.678219D+00  0.399532D+00
      2  -0.108813D+01  0.103765D+02 -0.239363D+00  0.890321D+01  0.129821D+01
      3  -0.547306D+00  0.498582D+00 -0.329313D+01  0.107924D+01  0.811946D+00
               236           237           238           239           240 
      1   0.746842D+00 -0.182788D+00 -0.234168D+01 -0.603539D+01 -0.129102D+00
      2   0.193376D+01  0.585357D+00  0.735687D+00 -0.952753D+01  0.713190D+01
      3   0.356402D+01 -0.226516D+01 -0.870215D+01 -0.352160D+02  0.128913D+02
               241           242           243 
      1   0.592824D-01  0.200959D+01 -0.989761D-01
      2   0.405615D+01  0.609413D+01 -0.769200D+01
      3   0.119972D+01  0.896780D+01 -0.697008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.215487D+01  0.190061D+02  0.184382D+02  0.162737D+02  0.132926D+02
      2   0.186511D+01 -0.155423D+02 -0.132371D+02 -0.135161D+02  0.441710D+01
      3  -0.401998D+01 -0.346383D+01 -0.520109D+01 -0.275765D+01 -0.177097D+02
      4   0.204172D+02 -0.279181D+01 -0.117403D+02 -0.112893D+01 -0.986964D+01
      5   0.257543D+02 -0.175342D+02 -0.196842D+02 -0.188426D+02  0.110709D+02
      6  -0.181497D+02 -0.487370D+01  0.520966D+01 -0.270868D+01  0.144129D+01
                 6             7             8             9            10 
      1  -0.474801D+01  0.128933D+02 -0.525658D+01 -0.139560D+02 -0.286154D+02
      2  -0.331964D+01 -0.823252D+01 -0.400256D+01 -0.134154D+01  0.291967D+02
      3   0.806765D+01 -0.466075D+01  0.925913D+01  0.152975D+02 -0.581270D+00
      4   0.156613D+02 -0.120117D+02  0.134036D+02  0.847760D+00 -0.398849D+02
      5  -0.937300D+00 -0.179776D+02  0.976120D+00 -0.734631D+01 -0.128493D+02
      6  -0.127554D+02  0.483453D+01 -0.111862D+02  0.778843D+01  0.752447D+01
                11            12            13            14            15 
      1  -0.210786D+02 -0.806019D+01 -0.280697D+02 -0.267123D+02 -0.529319D+01
      2   0.136098D+02  0.416641D+01  0.180556D+02  0.102065D+02  0.729520D+01
      3   0.746874D+01  0.389378D+01  0.100142D+02  0.165058D+02 -0.200201D+01
      4   0.135369D+01  0.455693D+01 -0.226366D+00 -0.496029D+01 -0.150207D+02
      5   0.306139D+01  0.106037D+02  0.557738D+01 -0.128639D+02  0.149157D+01
      6  -0.413864D+01 -0.135407D+01 -0.186789D+01  0.124597D+02  0.130892D+01
                16            17            18            19            20 
      1   0.505776D+01 -0.393152D+01  0.119005D+02  0.805279D+02  0.104587D+02
      2  -0.125475D+02  0.101758D+02 -0.577671D+01 -0.763370D+02 -0.120404D+02
      3   0.748978D+01 -0.624425D+01 -0.612377D+01 -0.419095D+01  0.158167D+01
      4   0.102133D+02 -0.202530D+02 -0.250194D+01  0.854252D+01 -0.177985D+02
      5   0.125991D+02 -0.111784D+01  0.200684D+02 -0.700895D+01 -0.444252D+01
      6  -0.386874D+01 -0.923635D+00 -0.100026D+02 -0.172075D+02 -0.410433D+01
                21            22            23            24            25 
      1   0.470192D+01  0.123718D+02  0.110587D+02 -0.152156D+01  0.809969D+00
      2  -0.618169D+01 -0.165346D+02 -0.121494D+02 -0.411482D+01  0.295203D+01
      3   0.147977D+01  0.416276D+01  0.109077D+01  0.563638D+01 -0.376200D+01
      4  -0.458226D+01 -0.340884D+02 -0.444949D+01  0.381133D+01 -0.972869D+01
      5   0.542509D+00 -0.958373D+01  0.521232D+00  0.606812D+01 -0.297460D+01
      6  -0.129946D+01 -0.756127D+01 -0.423247D+01  0.131049D+01 -0.953032D+00
                26            27            28            29            30 
      1  -0.187893D+01  0.756016D+01 -0.141149D+03 -0.624088D+01 -0.697066D+01
      2  -0.479042D+01  0.115927D+02  0.104554D+03  0.510413D+01  0.447687D+01
      3   0.666935D+01 -0.191529D+02  0.365953D+02  0.113675D+01  0.249379D+01
      4   0.769651D+01  0.514590D+01  0.212028D+01 -0.669678D+01 -0.682552D+00
      5   0.366010D+01 -0.720101D+01  0.438007D+01 -0.866277D+00 -0.105796D+02
      6   0.407924D+01  0.253703D+01  0.193098D+02  0.474778D+01  0.169223D+01
                31            32            33            34            35 
      1  -0.322977D+02 -0.261262D+02 -0.856103D+01  0.279023D+02 -0.439504D+01
      2   0.278912D+02  0.242912D+02  0.516936D+01 -0.166374D+02  0.511890D+01
      3   0.440648D+01  0.183495D+01  0.339167D+01 -0.112650D+02 -0.723858D+00
      4  -0.967079D+01 -0.858914D+01 -0.222187D+01 -0.113233D+01 -0.132068D+01
      5  -0.135332D+01 -0.742026D+00 -0.269348D+01  0.106036D+01  0.156073D+01
      6   0.315864D+01  0.666688D+01  0.395068D+01 -0.562589D+00 -0.598999D+00
                36            37            38            39            40 
      1  -0.372960D+01  0.159202D+03  0.103340D+02  0.100162D+02  0.341383D+02
      2  -0.163248D+01 -0.113191D+03 -0.645878D+01 -0.699538D+01 -0.177182D+02
      3   0.536207D+01 -0.460106D+02 -0.387523D+01 -0.302084D+01 -0.164201D+02
      4   0.200465D+01 -0.397305D+01  0.148820D+02  0.714510D-01  0.311363D+02
      5  -0.201329D+01  0.111735D+02  0.165188D+01  0.201791D+02  0.599466D+01
      6   0.535821D+01 -0.192803D+02 -0.450634D+01 -0.290928D+01 -0.112377D+02
                41            42            43            44            45 
      1   0.358255D+01 -0.261220D+01 -0.335938D+02 -0.910434D+01  0.137633D+02
      2   0.301967D+01 -0.335000D+01  0.217264D+02  0.335169D+01 -0.201013D+01
      3  -0.660222D+01  0.596220D+01  0.118674D+02  0.575266D+01 -0.117531D+02
      4   0.720690D+01 -0.300184D+01  0.175541D+01 -0.178842D+01 -0.673582D+01
      5  -0.258249D+01 -0.496788D+01  0.270834D+02 -0.482358D+01  0.871700D+01
      6  -0.990522D+00  0.409317D+01 -0.184053D+01  0.295132D+01  0.593628D+01
                46            47            48            49            50 
      1  -0.603504D+02 -0.544702D+01  0.992294D+01  0.842453D+01 -0.298004D+01
      2   0.444724D+02 -0.211662D+01 -0.206555D+01 -0.110857D+02  0.640754D+01
      3   0.158781D+02  0.756364D+01 -0.785739D+01  0.266114D+01 -0.342750D+01
      4  -0.608242D+01 -0.170196D+02  0.500750D+01  0.963616D+00  0.228183D+01
      5  -0.113680D+01  0.206872D+01 -0.170800D+02  0.265054D+02 -0.536670D+01
      6   0.123139D+02  0.170354D+01  0.592663D-01 -0.292032D+01  0.527958D+01
                51            52            53            54            55 
      1   0.983356D+01 -0.593897D+02  0.468390D+01 -0.190980D+02  0.312309D+02
      2  -0.107659D+02  0.526326D+02  0.109942D+01  0.224220D+02 -0.181928D+02
      3   0.932353D+00  0.675710D+01 -0.578332D+01 -0.332395D+01 -0.130381D+02
      4  -0.679648D+01  0.266744D+02 -0.814821D+01  0.111442D+02 -0.807079D+01
      5   0.952658D+01 -0.629172D+02  0.612222D+01 -0.465677D+02  0.209542D+02
      6   0.327665D+01  0.149467D+02 -0.611610D+01  0.776784D+01 -0.203855D+01
                56            57            58            59            60 
      1  -0.346773D+01  0.109921D+02 -0.298841D+02 -0.198059D+00 -0.392059D+01
      2   0.303035D+01 -0.757212D+01  0.188345D+02  0.128550D+01  0.382367D+01
      3   0.437374D+00 -0.341995D+01  0.110496D+02 -0.108745D+01  0.969158D-01
      4   0.131689D+02 -0.519590D+01  0.245726D+02 -0.161398D+02  0.214701D+02
      5  -0.421483D+01  0.213622D+02 -0.199433D+02  0.207812D+02 -0.130913D+02
      6   0.183904D+01 -0.154888D+01  0.120259D+02 -0.863719D+01  0.137290D+02
                61            62            63            64            65 
      1   0.843008D+02  0.347765D+01  0.521469D+01 -0.651900D+00  0.369688D+02
      2  -0.647919D+02 -0.258807D+01 -0.335235D+02 -0.223747D+02 -0.252680D+02
      3  -0.195089D+02 -0.889584D+00  0.283088D+02  0.230266D+02 -0.117008D+02
      4  -0.148706D+02  0.180243D+02 -0.157519D+02  0.392543D+02 -0.201677D+02
      5   0.721551D+02 -0.992680D+01  0.786713D+02  0.815234D+01 -0.251965D+01
      6  -0.135893D+02  0.147450D+02 -0.993354D+01 -0.777016D+01  0.656466D+01
                66            67            68            69            70 
      1   0.104550D+02  0.317121D+02  0.546144D+01 -0.663176D-01  0.804415D+01
      2  -0.490734D+00 -0.193111D+02 -0.613688D+01 -0.685680D+01  0.765561D+01
      3  -0.996424D+01 -0.124010D+02  0.675434D+00  0.692311D+01 -0.156998D+02
      4  -0.124056D+02 -0.157050D+02 -0.427671D+01  0.147237D+02 -0.195865D+02
      5  -0.498967D+01 -0.413366D+01  0.143546D+02 -0.594452D+01 -0.686921D+01
      6   0.421219D+01  0.797462D+01 -0.126203D+02  0.493105D+01  0.606383D+01
                71            72            73            74            75 
      1  -0.229554D+01 -0.348005D+01 -0.120363D+02 -0.110181D+02  0.277622D+01
      2  -0.983985D+01  0.169688D+02  0.806855D+01  0.817255D+01  0.539101D+01
      3   0.121354D+02 -0.134888D+02  0.396775D+01  0.284555D+01 -0.816723D+01
      4   0.182158D+02  0.440490D+01 -0.100177D+02  0.110682D+02  0.112401D+02
      5  -0.283586D+00 -0.342971D+02  0.105638D+02  0.109085D+02 -0.262654D+02
      6   0.502691D+01  0.193352D+02  0.339926D+01  0.812584D+01 -0.278916D+01
                76            77            78            79            80 
      1  -0.112473D+02  0.314549D+02  0.181467D+02  0.106499D+02  0.191447D+02
      2   0.924999D+01 -0.148292D+02 -0.999678D+01  0.319694D+01 -0.113140D+02
      3   0.199728D+01 -0.166256D+02 -0.814996D+01 -0.138469D+02 -0.783069D+01
      4   0.237125D+02  0.199289D+02  0.916885D+01  0.211774D+02  0.125273D+02
      5   0.183772D+02  0.682883D+01  0.264238D+01 -0.390882D+02 -0.435274D+00
      6   0.663065D+01  0.135705D+01  0.418480D+00 -0.563306D+01  0.186470D+01
                81            82            83            84            85 
      1  -0.322127D+02 -0.437165D+02  0.482490D+01  0.487987D+01  0.999088D+01
      2   0.241801D+02  0.468450D+02  0.675751D+01 -0.562703D+01  0.414034D+01
      3   0.803256D+01 -0.312851D+01 -0.115824D+02  0.747162D+00 -0.141312D+02
      4  -0.513177D+01  0.250028D+02  0.185336D+02 -0.652376D+00  0.257365D+02
      5  -0.162141D+02  0.590785D+01  0.572205D+00  0.216489D+01 -0.123872D+01
      6   0.236442D+01  0.122719D+02 -0.204405D+01  0.285404D+01 -0.137972D+01
                86            87            88            89            90 
      1   0.780807D+01 -0.858073D+00  0.231976D+02  0.421148D+01  0.239736D+02
      2  -0.162091D+01  0.166791D+01 -0.230029D+02 -0.370797D+01 -0.262946D+02
      3  -0.618717D+01 -0.809832D+00 -0.194773D+00 -0.503508D+00  0.232099D+01
      4  -0.190509D+01 -0.757586D+01 -0.692913D+01 -0.132822D+02 -0.125705D+02
      5  -0.331690D+01 -0.113599D+02  0.217885D+01 -0.157790D+02  0.201045D+01
      6  -0.105272D+02 -0.201286D+02 -0.291153D+01 -0.303863D+02 -0.487352D+01
                91            92            93            94            95 
      1  -0.232732D+02  0.849283D+01 -0.408309D+02  0.190848D+02  0.117884D+02
      2   0.104758D+02 -0.210174D+01  0.194826D+02 -0.162082D+02 -0.116636D+02
      3   0.127974D+02 -0.639109D+01  0.213483D+02 -0.287658D+01 -0.124766D+00
      4   0.143992D+02  0.137450D+02 -0.113427D+02 -0.614873D+01 -0.324555D+02
      5  -0.460902D+02 -0.103842D+02 -0.238460D+01 -0.124223D+02  0.261522D+02
      6  -0.658585D+01 -0.442988D+01  0.248388D+01  0.334207D+01  0.102867D+02
                96            97            98            99           100 
      1  -0.949344D+01 -0.551729D+02 -0.795658D+01 -0.212888D+02  0.355873D+02
      2   0.163344D+02  0.255888D+02  0.116277D+02  0.165376D+02 -0.236227D+02
      3  -0.684100D+01  0.295841D+02 -0.367108D+01  0.475121D+01 -0.119646D+02
      4   0.281800D+02 -0.114041D+02  0.207560D+02  0.113615D+02  0.619489D+01
      5   0.185594D+02 -0.270630D+02  0.114626D+02  0.322579D+02  0.247427D+02
      6  -0.827722D+01  0.377138D+01 -0.475003D+01 -0.633816D+01  0.179156D+01
               101           102           103           104           105 
      1   0.177614D+01  0.164784D+02 -0.540664D+01  0.894499D+00 -0.504944D+01
      2  -0.388337D+00 -0.127832D+02  0.412392D+01 -0.148754D+01  0.421551D+01
      3  -0.138780D+01 -0.369524D+01  0.128272D+01  0.593043D+00  0.833933D+00
      4   0.513314D+01  0.108579D+01  0.612021D+01 -0.303866D+01  0.527303D+01
      5  -0.849851D+00  0.232073D+02 -0.616604D+01  0.621685D+01 -0.494388D+01
      6   0.105910D+01  0.251499D+01  0.233491D+01 -0.855196D-01  0.386609D+01
               106           107           108           109           110 
      1   0.272556D+02 -0.212233D+01  0.193652D+02  0.594779D+02  0.133805D+02
      2  -0.230458D+02  0.271684D+01 -0.232007D+02 -0.300594D+02 -0.490071D+01
      3  -0.420987D+01 -0.594518D+00  0.383553D+01 -0.294185D+02 -0.847978D+01
      4   0.265607D+01  0.884176D+01  0.404407D+01  0.257953D+02  0.129302D+02
      5   0.371468D+02  0.939966D+00  0.410833D+02 -0.224637D+02 -0.656986D+01
      6   0.400545D+01  0.409411D+01  0.511942D+01 -0.654004D+01 -0.305849D+01
               111           112           113           114           115 
      1  -0.173582D+02  0.114377D+02  0.435726D+01 -0.482879D+01 -0.347524D+02
      2   0.866373D+01 -0.323219D+01  0.181001D+01  0.146142D+01  0.183672D+02
      3   0.869443D+01 -0.820553D+01 -0.616727D+01  0.336737D+01  0.163851D+02
      4  -0.916564D+01  0.156335D+02  0.104212D+02 -0.810421D+01 -0.181190D+02
      5   0.189983D+02 -0.682945D+01 -0.726947D+01  0.425648D+01  0.297431D+02
      6   0.422984D+01 -0.408604D+01 -0.271097D+01  0.364063D+01  0.781729D+01
               116           117           118           119           120 
      1  -0.901994D+01  0.190302D+02  0.455767D+00 -0.271121D+00  0.236112D+01
      2   0.308592D+01 -0.138017D+02 -0.354585D+01  0.148492D+00  0.274117D+00
      3   0.593402D+01 -0.522856D+01  0.309009D+01  0.122629D+00 -0.263524D+01
      4  -0.138852D+02  0.102308D+02 -0.132670D+01  0.243662D+01  0.481364D+00
      5   0.719920D+01 -0.214757D+02  0.108768D+01 -0.250978D+00  0.577314D+01
      6   0.441207D+01 -0.646887D+01 -0.278122D+00 -0.785377D-01 -0.578566D-01
               121           122           123           124           125 
      1   0.120966D+01 -0.532933D+01  0.456250D+01  0.249808D+00  0.192012D+01
      2   0.686426D-01  0.101679D+01  0.617448D+00 -0.397250D+00  0.244175D+01
      3  -0.127830D+01  0.431254D+01 -0.517994D+01  0.147442D+00 -0.436188D+01
      4   0.223720D+01 -0.107663D+01  0.121002D+01  0.130068D+00  0.397344D+01
      5  -0.468854D+00  0.979359D+00 -0.281857D+01  0.542899D+01 -0.174406D+01
      6  -0.381812D+00 -0.232988D+01  0.612945D+01 -0.270110D+00  0.443943D+01
               126           127           128           129           130 
      1  -0.216527D+02 -0.232139D-01  0.617387D+01 -0.392764D+01  0.418877D+01
      2  -0.119865D+02  0.139983D+00 -0.799863D+01  0.361274D+01 -0.405651D+01
      3   0.336391D+02 -0.116769D+00  0.182476D+01  0.314900D+00 -0.132254D+00
      4  -0.287371D+01 -0.148725D+01  0.117992D+01 -0.232301D+01  0.319494D+01
      5   0.112896D+02 -0.123936D+01 -0.785072D-01  0.732176D-01  0.982176D-01
      6  -0.135374D+00 -0.474598D+01  0.241355D+01 -0.295391D+01  0.620455D+00
               131           132           133           134           135 
      1  -0.190977D+02  0.788248D+01 -0.699867D+01  0.147533D+02 -0.153943D+02
      2   0.264084D+02 -0.107154D+02  0.440540D+01 -0.197050D+02  0.144189D+02
      3  -0.731065D+01  0.283296D+01  0.259327D+01  0.495171D+01  0.975477D+00
      4   0.999407D+01 -0.394853D+01 -0.480400D+01 -0.825811D+01  0.612818D+01
      5  -0.552364D+01  0.611786D+01  0.680079D+00  0.862550D+01 -0.106341D+02
      6  -0.954957D+01  0.119964D+02 -0.141577D+00  0.162954D+02 -0.157246D+02
               136           137           138           139           140 
      1   0.609703D+01  0.582162D+01  0.342798D+01  0.327223D+01 -0.277177D+02
      2  -0.479342D+01 -0.426722D+01 -0.144159D+01 -0.659692D+00  0.343869D+02
      3  -0.130361D+01 -0.155440D+01 -0.198639D+01 -0.261254D+01 -0.666925D+01
      4   0.411795D+01  0.598839D+01  0.450144D+01  0.889559D+01  0.227821D+02
      5   0.247213D+01  0.342568D+01  0.408304D+01  0.406810D+01  0.116992D+02
      6   0.376315D+01 -0.404164D+00 -0.797021D+00  0.417579D+01  0.272776D+02
               141           142           143           144           145 
      1  -0.135211D+02 -0.295280D+01 -0.233055D+02 -0.218689D+02 -0.198313D+01
      2   0.135632D+02  0.492330D+01  0.212981D+02  0.130948D+02 -0.109213D+01
      3  -0.420460D-01 -0.197050D+01  0.200740D+01  0.877412D+01  0.307526D+01
      4   0.115647D+02  0.103922D+02  0.187861D+02  0.140469D+02  0.676949D+00
      5   0.955830D+01  0.747954D+01  0.153467D+02  0.141902D+02 -0.293983D+01
      6   0.208883D+02  0.630188D+01  0.305581D+02  0.267666D+02 -0.756699D+00
               146           147           148           149           150 
      1   0.129566D+01 -0.593784D+01  0.281290D+01 -0.947673D+01  0.100156D+02
      2   0.106326D+01  0.898365D+00 -0.102963D+01 -0.101775D+01  0.700447D+01
      3  -0.235893D+01  0.503948D+01 -0.178327D+01  0.104945D+02 -0.170201D+02
      4   0.370506D+00  0.122538D+01  0.215845D+00  0.156587D+02 -0.918526D+01
      5  -0.256957D+00  0.353071D+01 -0.271234D+01 -0.731125D+01  0.115991D+02
      6   0.262333D+01 -0.155864D+01  0.145153D+01 -0.160438D+02  0.108839D+02
               151           152           153           154           155 
      1  -0.335338D+01  0.709029D+01 -0.998802D+01  0.273587D+02 -0.716668D+01
      2   0.120292D+01  0.437155D+01 -0.735187D+01 -0.199822D+02  0.395904D+01
      3   0.215046D+01 -0.114618D+02  0.173399D+02 -0.737652D+01  0.320764D+01
      4   0.102641D+01 -0.693651D+01  0.684182D+01 -0.216642D+02  0.145553D+02
      5   0.459609D+01  0.539851D+01 -0.819399D+01 -0.382804D+02  0.142062D+02
      6  -0.132685D+01  0.105875D+02 -0.877525D+01  0.124685D+02 -0.868665D+01
               156           157           158           159           160 
      1  -0.898155D+01 -0.729476D+01  0.816823D+00  0.206681D-01 -0.673309D+01
      2   0.145221D+02  0.407883D+01 -0.454300D+00 -0.210934D+01  0.113877D+02
      3  -0.554051D+01  0.321593D+01 -0.362523D+00  0.208867D+01 -0.465466D+01
      4   0.120892D+02  0.135341D+02 -0.111421D+02 -0.101232D+02  0.819075D+01
      5   0.303163D+02  0.134860D+02 -0.112807D+02 -0.110331D+02  0.217344D+02
      6  -0.983327D+01 -0.794729D+01  0.827483D+01  0.100170D+02 -0.714594D+01
               161           162           163           164           165 
      1   0.294735D+00  0.255493D+01 -0.112386D+02 -0.135944D+02 -0.134080D+02
      2  -0.200717D+01 -0.105622D+02  0.562693D+01  0.937994D+01  0.220911D+01
      3   0.171244D+01  0.800730D+01  0.561167D+01  0.421444D+01  0.111989D+02
      4  -0.592560D+01 -0.833711D+01  0.161080D+01 -0.491752D+00  0.570505D+00
      5  -0.825336D+01 -0.208067D+02  0.650992D+01  0.458990D+01  0.158214D+01
      6   0.717636D+01  0.800413D+01  0.861491D+01  0.107520D+02  0.745691D+01
               166           167           168           169           170 
      1  -0.111502D+02 -0.167914D+02 -0.927574D+01 -0.681280D+01 -0.512786D+01
      2   0.803278D+01  0.123486D+02  0.280801D+01  0.117356D+01  0.785943D+00
      3   0.311737D+01  0.444277D+01  0.646773D+01  0.563923D+01  0.434191D+01
      4   0.150619D+01 -0.275884D+01 -0.356914D+01  0.981474D+00 -0.170029D+01
      5   0.633295D+01  0.387764D+00 -0.186370D+01  0.411738D+01  0.195517D+00
      6   0.663165D+01  0.128506D+02  0.110904D+02  0.388162D+01  0.761547D+01
               171           172           173           174           175 
      1  -0.768303D+01 -0.142791D+02 -0.253575D+02 -0.958488D+00 -0.155607D+02
      2   0.225822D+00  0.162229D+02  0.291302D+02  0.896636D+00  0.153905D+02
      3   0.745721D+01 -0.194381D+01 -0.377268D+01  0.618521D-01  0.170238D+00
      4  -0.532509D+00  0.420675D+01 -0.110180D+00  0.252409D+01  0.571407D+01
      5   0.867168D+00 -0.441212D+01 -0.153454D+01 -0.181629D+01 -0.216750D+01
      6   0.557943D+01  0.283890D+00 -0.371273D+01  0.524210D+01 -0.141331D+01
               176           177           178           179           180 
      1  -0.278177D+02 -0.590189D+00 -0.337630D+01 -0.261037D+01 -0.500326D+01
      2   0.380422D+02  0.206260D+01  0.137144D+01  0.594807D+01  0.314143D+01
      3  -0.102245D+02 -0.147241D+01  0.200486D+01 -0.333771D+01  0.186183D+01
      4  -0.804486D+01 -0.749218D+00  0.311377D+01 -0.398136D+01 -0.500950D+00
      5  -0.329667D+01 -0.183025D+01  0.443021D+00 -0.175541D+01  0.185053D+01
      6  -0.280306D+01  0.501793D+01  0.223349D+01  0.543498D+01 -0.742566D+00
               181           182           183           184           185 
      1   0.437428D+02 -0.181857D+02 -0.768016D+01 -0.152184D+02  0.515152D+01
      2  -0.716375D+01 -0.329039D+01  0.131413D+01 -0.225378D+01  0.117742D+02
      3  -0.365791D+02  0.214761D+02  0.636602D+01  0.174722D+02 -0.169257D+02
      4  -0.522241D+02  0.359631D+02  0.739308D+01  0.289943D+02 -0.264970D+02
      5  -0.347155D+01  0.939656D+00  0.980715D+01  0.181932D+01 -0.298119D+01
      6   0.343192D+01 -0.157197D+01 -0.699313D+01 -0.164743D+01  0.244404D+01
               186           187           188           189           190 
      1   0.118500D+01 -0.113844D+02  0.280469D+01  0.542287D+01  0.370962D+01
      2   0.264685D+01 -0.415590D+00  0.570545D+01 -0.247716D+01 -0.213677D+01
      3  -0.383185D+01  0.118000D+02 -0.851013D+01 -0.294570D+01 -0.157284D+01
      4  -0.609007D+01  0.175975D+02 -0.155100D+02 -0.939725D+01 -0.698697D+01
      5  -0.311955D+01  0.984030D+01 -0.569351D+01 -0.424596D+01  0.715727D+01
      6   0.361787D+01 -0.751612D+01  0.464304D+01  0.324767D+01 -0.297135D+01
               191           192           193           194           195 
      1  -0.433141D+01  0.435002D+01 -0.141203D+00 -0.218062D+01  0.237151D+01
      2   0.236903D+01 -0.449723D+01 -0.421546D+00  0.353525D-02 -0.432003D+01
      3   0.196238D+01  0.147213D+00  0.562750D+00  0.217708D+01  0.194852D+01
      4   0.473954D+01 -0.283774D+01  0.246361D+01  0.119667D+01  0.309703D+01
      5  -0.131987D+01  0.103616D+02  0.142255D+01  0.318529D+01  0.263575D+01
      6   0.490684D+00 -0.355594D+01  0.295288D+00 -0.140342D+01  0.440826D+01
               196           197           198           199           200 
      1   0.384570D+01  0.447039D+01 -0.977754D+01 -0.835787D+00 -0.839671D+00
      2  -0.627697D+01 -0.454611D+01 -0.165005D+02  0.152076D+01  0.668274D+00
      3   0.243127D+01  0.757209D-01  0.262781D+02 -0.684968D+00  0.171397D+00
      4  -0.591196D+01  0.820360D+01 -0.891511D+01  0.123580D+00  0.137356D+01
      5   0.155226D+02 -0.648168D+01  0.427000D+02  0.165389D+00 -0.474189D+00
      6  -0.747008D+01  0.973450D+01 -0.290961D+02 -0.666203D+00  0.225662D+00
               201           202           203           204           205 
      1   0.722198D+00 -0.230579D+01 -0.190035D+01  0.542734D+01  0.645152D+01
      2  -0.609543D+00 -0.214791D+01  0.105612D+01 -0.296109D+01 -0.327892D+01
      3  -0.112654D+00  0.445370D+01  0.844226D+00 -0.246626D+01 -0.317259D+01
      4  -0.739043D+00  0.650627D+00 -0.140802D+01  0.208125D+01 -0.392422D+00
      5   0.202478D+01 -0.452409D+00  0.110374D+01 -0.759011D+00  0.138055D+01
      6   0.122268D+00  0.802860D+00 -0.382329D+01  0.379564D+01  0.802248D+00
               206           207           208           209           210 
      1   0.665921D+01 -0.130518D+02  0.210294D+01  0.255170D+01 -0.571230D+01
      2  -0.459142D+01  0.140554D+01 -0.302800D+01 -0.138507D+01  0.208748D+01
      3  -0.206778D+01  0.116463D+02  0.925056D+00 -0.116663D+01  0.362482D+01
      4   0.195642D+01 -0.307740D+01  0.265602D+01  0.126641D+01 -0.159890D+01
      5  -0.196286D+01  0.440258D+01 -0.497813D+01 -0.173132D+01  0.413560D+01
      6   0.491895D+01 -0.732477D+01 -0.180319D+01  0.249719D+00  0.333769D+00
               211           212           213           214           215 
      1   0.261411D+01 -0.478336D+01  0.427431D+01 -0.185249D+01  0.474944D+01
      2  -0.441352D+01  0.859281D+00  0.157759D+01  0.332880D+01  0.345819D+00
      3   0.179941D+01  0.392408D+01 -0.585190D+01 -0.147631D+01 -0.509526D+01
      4  -0.228751D+01  0.156401D+01 -0.267114D+01 -0.358362D+01 -0.371261D+01
      5  -0.509343D+01 -0.363702D+01  0.682700D+01  0.722981D+01  0.570759D+01
      6   0.119592D+01 -0.313545D+01  0.466938D+01  0.251673D+01  0.614132D+01
               216           217           218           219           220 
      1  -0.192167D+02  0.180892D+02 -0.634839D+01 -0.690132D+01 -0.186310D+02
      2  -0.729989D+01 -0.127185D+02  0.390894D+01  0.539281D+01  0.125409D+02
      3   0.265166D+02 -0.537069D+01  0.243945D+01  0.150851D+01  0.609014D+01
      4   0.434594D+01 -0.709197D+01  0.359800D+01  0.514744D+01  0.135750D+02
      5  -0.208171D+02 -0.883125D+01  0.585983D+01  0.114956D+02  0.167121D+02
      6  -0.650445D+01  0.264101D+01 -0.422448D+00 -0.812507D+00 -0.478114D+01
               221           222           223           224           225 
      1   0.194884D+01  0.547966D+01 -0.246778D+02 -0.864012D+00  0.105883D+02
      2  -0.201583D+01 -0.986306D+01  0.194829D+02 -0.489117D+01 -0.232923D+02
      3   0.669983D-01  0.438340D+01  0.519491D+01  0.575518D+01  0.127040D+02
      4  -0.127598D+02 -0.198549D+02  0.417522D+01 -0.182725D+02 -0.162596D+02
      5  -0.186407D+02 -0.256422D+02  0.361188D+02 -0.146849D+02 -0.587005D+02
      6   0.562926D+01  0.883490D+01 -0.277754D+01  0.701232D+01  0.669250D+01
               226           227           228           229           230 
      1   0.100141D+03  0.169694D+01  0.236805D+02 -0.601378D+01  0.926466D+01
      2  -0.478504D+02  0.325148D+00 -0.103351D+02  0.412760D+01 -0.282927D+01
      3  -0.522907D+02 -0.202209D+01 -0.133454D+02  0.188618D+01 -0.643538D+01
      4   0.626583D+01  0.124876D+02  0.271559D+01  0.143139D+02  0.302486D+01
      5   0.195667D+02  0.177605D+01  0.165786D+02  0.577196D+00  0.161428D+01
      6   0.310664D+01 -0.145336D+00  0.160106D+01  0.197080D+00 -0.630353D+00
               231           232           233           234           235 
      1   0.345847D+00  0.489718D+02  0.244026D+01  0.200557D+02  0.465614D+01
      2  -0.935130D+00 -0.233351D+02 -0.120293D+01 -0.113021D+02 -0.108993D+01
      3   0.589283D+00 -0.256367D+02 -0.123732D+01 -0.875361D+01 -0.356621D+01
      4   0.199386D+01  0.491499D+01  0.665371D+01  0.242145D+00  0.345981D+01
      5  -0.271166D+01  0.232510D+02 -0.312561D+00  0.158935D+02  0.281006D+01
      6   0.219511D+01  0.248061D+01  0.171649D+01  0.253774D+01 -0.212732D+01
               236           237           238           239           240 
      1   0.861089D+01  0.452881D+00  0.216669D+02 -0.871740D+01  0.281055D+01
      2  -0.589128D+01 -0.160533D-01 -0.590059D+01  0.227685D+02 -0.497183D+01
      3  -0.271962D+01 -0.436828D+00 -0.157663D+02 -0.140511D+02  0.216128D+01
      4  -0.274340D+00  0.163189D+01  0.233712D+02  0.613465D+02 -0.216265D+02
      5   0.943621D+00 -0.107732D-01 -0.956339D+01 -0.200828D+02  0.144337D+02
      6   0.138234D+01 -0.154906D+01 -0.520848D+01 -0.174687D+02  0.111009D+02
               241           242           243 
      1  -0.704400D+01  0.318448D+01  0.196575D+01
      2   0.410198D+01 -0.287006D+01 -0.164005D+01
      3   0.294202D+01 -0.314419D+00 -0.325710D+00
      4  -0.452498D+01 -0.160639D+02  0.117969D+02
      5   0.143863D+02  0.120938D+02 -0.177922D+02
      6   0.238545D+01  0.993704D+01 -0.613917D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:15:53 2021, MaxMem=  5368709120 cpu:           15491.0 elap:            1937.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12411 -10.27342 -10.20580 -10.20487 -10.19771
 Alpha  occ. eigenvalues --  -10.19136 -10.19095 -10.18949 -10.18503 -10.17973
 Alpha  occ. eigenvalues --  -10.17958  -1.02813  -0.86711  -0.79324  -0.74871
 Alpha  occ. eigenvalues --   -0.73966  -0.68989  -0.67527  -0.61298  -0.59426
 Alpha  occ. eigenvalues --   -0.54069  -0.51811  -0.49086  -0.47843  -0.46357
 Alpha  occ. eigenvalues --   -0.45165  -0.44499  -0.44129  -0.42401  -0.41109
 Alpha  occ. eigenvalues --   -0.39765  -0.39708  -0.38704  -0.37054  -0.36811
 Alpha  occ. eigenvalues --   -0.36315  -0.35413  -0.32624  -0.31612  -0.30806
 Alpha  occ. eigenvalues --   -0.26704  -0.25366
 Alpha virt. eigenvalues --   -0.06365   0.01131   0.02353   0.03227   0.03679
 Alpha virt. eigenvalues --    0.04140   0.05017   0.06542   0.06870   0.06964
 Alpha virt. eigenvalues --    0.07959   0.08144   0.09243   0.09728   0.10277
 Alpha virt. eigenvalues --    0.10957   0.11182   0.11396   0.12188   0.12711
 Alpha virt. eigenvalues --    0.13115   0.13690   0.14495   0.15055   0.15327
 Alpha virt. eigenvalues --    0.15739   0.16358   0.17142   0.17564   0.18643
 Alpha virt. eigenvalues --    0.18995   0.19600   0.20520   0.20998   0.21481
 Alpha virt. eigenvalues --    0.21991   0.22457   0.22979   0.23886   0.24449
 Alpha virt. eigenvalues --    0.25270   0.26705   0.27019   0.27588   0.28082
 Alpha virt. eigenvalues --    0.29167   0.29611   0.29962   0.30108   0.30903
 Alpha virt. eigenvalues --    0.31491   0.31949   0.32177   0.32535   0.32958
 Alpha virt. eigenvalues --    0.33336   0.33666   0.33986   0.34367   0.34584
 Alpha virt. eigenvalues --    0.35014   0.35223   0.35463   0.35724   0.36477
 Alpha virt. eigenvalues --    0.36568   0.37079   0.37419   0.37641   0.37958
 Alpha virt. eigenvalues --    0.38655   0.39242   0.39366   0.39927   0.40575
 Alpha virt. eigenvalues --    0.41140   0.41924   0.41997   0.42702   0.43095
 Alpha virt. eigenvalues --    0.43518   0.43992   0.44280   0.44609   0.45712
 Alpha virt. eigenvalues --    0.46262   0.46453   0.46711   0.46895   0.47121
 Alpha virt. eigenvalues --    0.48197   0.48384   0.49311   0.49445   0.50040
 Alpha virt. eigenvalues --    0.50509   0.50927   0.51182   0.51634   0.52200
 Alpha virt. eigenvalues --    0.52376   0.52776   0.53489   0.54192   0.54401
 Alpha virt. eigenvalues --    0.54880   0.55176   0.55884   0.56701   0.57220
 Alpha virt. eigenvalues --    0.57654   0.58514   0.58873   0.59170   0.59755
 Alpha virt. eigenvalues --    0.60757   0.61452   0.61744   0.62637   0.62881
 Alpha virt. eigenvalues --    0.63912   0.64407   0.64902   0.65588   0.66170
 Alpha virt. eigenvalues --    0.66927   0.67603   0.68395   0.68994   0.69932
 Alpha virt. eigenvalues --    0.70333   0.71762   0.72271   0.73301   0.74344
 Alpha virt. eigenvalues --    0.76530   0.77030   0.77982   0.78257   0.78947
 Alpha virt. eigenvalues --    0.79439   0.79916   0.81621   0.83144   0.86335
 Alpha virt. eigenvalues --    0.87650   0.89530   0.90670   0.91915   0.93472
 Alpha virt. eigenvalues --    0.94126   0.95134   0.96219   0.96325   0.97261
 Alpha virt. eigenvalues --    0.97906   0.98572   0.99252   1.00084   1.00499
 Alpha virt. eigenvalues --    1.01784   1.02311   1.03756   1.03889   1.04515
 Alpha virt. eigenvalues --    1.05158   1.05794   1.07057   1.08197   1.09177
 Alpha virt. eigenvalues --    1.11941   1.12370   1.14432   1.15758   1.18284
 Alpha virt. eigenvalues --    1.18484   1.21029   1.21732   1.22676   1.24407
 Alpha virt. eigenvalues --    1.26762   1.27800   1.28411   1.29256   1.31260
 Alpha virt. eigenvalues --    1.31550   1.33116   1.35148   1.35817   1.37887
 Alpha virt. eigenvalues --    1.39268   1.39485   1.40809   1.43082   1.44407
 Alpha virt. eigenvalues --    1.46394   1.48230   1.50954   1.53094   1.55304
 Alpha virt. eigenvalues --    1.56400   1.56636   1.57732   1.59277   1.60237
 Alpha virt. eigenvalues --    1.60964   1.63038   1.64020   1.66033   1.67020
 Alpha virt. eigenvalues --    1.68638   1.72201   1.72596   1.74304   1.76164
 Alpha virt. eigenvalues --    1.76890   1.77430   1.78854   1.80454   1.81733
 Alpha virt. eigenvalues --    1.83155   1.83680   1.85466   1.86542   1.87831
 Alpha virt. eigenvalues --    1.89456   1.91502   1.92101   1.94917   1.96651
 Alpha virt. eigenvalues --    1.97220   1.97619   1.98475   2.00889   2.01050
 Alpha virt. eigenvalues --    2.02196   2.03997   2.04374   2.04795   2.05169
 Alpha virt. eigenvalues --    2.07005   2.07833   2.11320   2.12488   2.13898
 Alpha virt. eigenvalues --    2.14803   2.14915   2.18322   2.19471   2.20329
 Alpha virt. eigenvalues --    2.22507   2.23291   2.23965   2.24399   2.26594
 Alpha virt. eigenvalues --    2.27997   2.29643   2.30141   2.32230   2.33640
 Alpha virt. eigenvalues --    2.37826   2.39051   2.40005   2.41882   2.43577
 Alpha virt. eigenvalues --    2.46276   2.48217   2.49792   2.51892   2.53391
 Alpha virt. eigenvalues --    2.54690   2.55875   2.56175   2.57719   2.60618
 Alpha virt. eigenvalues --    2.62731   2.64817   2.66176   2.67267   2.70193
 Alpha virt. eigenvalues --    2.71466   2.73558   2.77412   2.81177   2.84206
 Alpha virt. eigenvalues --    2.87069   2.90818   2.92165   2.93291   2.97331
 Alpha virt. eigenvalues --    2.98824   3.00669   3.02093   3.02590   3.04692
 Alpha virt. eigenvalues --    3.07316   3.10461   3.12420   3.13650   3.14869
 Alpha virt. eigenvalues --    3.16709   3.18414   3.20195   3.20759   3.23601
 Alpha virt. eigenvalues --    3.28679   3.31241   3.53921   3.81978
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.120446  -0.745545   0.179372  -0.173831  -0.033175   0.002607
     2  C   -0.745545  12.407429  -1.014545   0.259382   0.069740   0.003974
     3  C    0.179372  -1.014545   7.869765  -0.856227  -0.582307   0.169405
     4  C   -0.173831   0.259382  -0.856227   7.958171   0.076365   0.081471
     5  C   -0.033175   0.069740  -0.582307   0.076365   9.281473  -0.769415
     6  C    0.002607   0.003974   0.169405   0.081471  -0.769415   5.896776
     7  O    0.001204  -0.003324   0.029761  -0.128158  -0.107132   0.302491
     8  C   -0.181410  -1.003806   0.017241   0.010339   0.040135  -0.001371
     9  C    0.016107  -0.516634   0.226799   0.002548  -0.007635  -0.001202
    10  C   -0.050401   0.389072  -0.021180  -0.060470   0.097005  -0.001245
    11  C    0.000026   0.000070   0.001676   0.078819  -0.137934   0.417151
    12  H    0.080218  -0.073000   0.163160  -0.008980  -0.003662   0.000115
    13  H   -0.128626  -0.113548   0.026364  -0.016377   0.001328  -0.000038
    14  H    0.096723  -0.300598  -0.588773  -0.668525  -0.571008   0.046221
    15  H    0.027206   0.071644   0.041156  -0.108911  -0.005855   0.003660
    16  H   -0.016411  -0.001087   0.024641   0.030368   0.013854  -0.000523
    17  H    0.206181   0.333503  -0.094076   0.009107  -0.009107  -0.000188
    18  H   -0.160467   0.263199  -0.008721  -0.000061   0.002639  -0.000121
    19  H   -0.117406   0.182045  -0.002197   0.038582   0.005809   0.001985
    20  H    0.015753   0.272017   0.027608   0.006618  -0.008430   0.000769
    21  H    0.029716   0.248980   0.027199  -0.000574  -0.001052   0.000010
    22  H   -0.001134  -0.057583  -0.052232  -0.002309   0.010294  -0.000111
    23  H    0.007515  -0.145739  -0.045682  -0.341964  -1.197245   0.068455
    24  H    0.000348  -0.008307  -0.137367  -0.178834   0.541442  -0.466239
    25  H    0.000007   0.000074   0.003147   0.002899  -0.032060   0.134265
    26  H    0.000002  -0.000038  -0.000860  -0.008163   0.087008   0.128660
    27  H    0.000027   0.000045   0.003574   0.001433  -0.023258   0.126112
               7          8          9         10         11         12
     1  C    0.001204  -0.181410   0.016107  -0.050401   0.000026   0.080218
     2  C   -0.003324  -1.003806  -0.516634   0.389072   0.000070  -0.073000
     3  C    0.029761   0.017241   0.226799  -0.021180   0.001676   0.163160
     4  C   -0.128158   0.010339   0.002548  -0.060470   0.078819  -0.008980
     5  C   -0.107132   0.040135  -0.007635   0.097005  -0.137934  -0.003662
     6  C    0.302491  -0.001371  -0.001202  -0.001245   0.417151   0.000115
     7  O    8.202047   0.000088  -0.000276   0.000217  -0.030535  -0.000008
     8  C    0.000088   5.704663  -0.072315   0.062981  -0.000126  -0.078458
     9  C   -0.000276  -0.072315   5.121779  -0.085636  -0.000019   0.079710
    10  C    0.000217   0.062981  -0.085636   5.053426  -0.000173  -0.126747
    11  C   -0.030535  -0.000126  -0.000019  -0.000173   4.258032  -0.000001
    12  H   -0.000008  -0.078458   0.079710  -0.126747  -0.000001   1.412348
    13  H   -0.000003   0.103084   0.096266   0.091953  -0.000001  -0.447825
    14  H    0.000580  -0.302301   0.104261  -0.542451   0.001466   0.054028
    15  H    0.000927  -0.006865  -0.024409   0.126146  -0.000007   0.097367
    16  H    0.000087  -0.004932   0.008664   0.252247  -0.000008  -0.176478
    17  H    0.000247  -0.009108  -0.034806  -0.026876   0.000009   0.000573
    18  H    0.000179   0.033134  -0.006493   0.013506  -0.000006  -0.002696
    19  H   -0.000448   0.013396   0.013045   0.001838  -0.000023  -0.002842
    20  H    0.000087  -0.151208   0.002476  -0.014369   0.000058   0.001280
    21  H   -0.000015  -0.168389   0.061286  -0.018230   0.000003  -0.010662
    22  H    0.000050   0.530317  -0.047126   0.036933  -0.000024  -0.007247
    23  H    0.079497  -0.020366  -0.002557  -0.071586   0.011264  -0.000257
    24  H    0.060593   0.002349   0.001348   0.006994  -0.065885  -0.000309
    25  H   -0.004333  -0.000009  -0.000006  -0.000014   0.208782   0.000000
    26  H    0.016287   0.000003   0.000002   0.000005   0.189311   0.000000
    27  H   -0.001570  -0.000031  -0.000008  -0.000005   0.210288   0.000000
              13         14         15         16         17         18
     1  C   -0.128626   0.096723   0.027206  -0.016411   0.206181  -0.160467
     2  C   -0.113548  -0.300598   0.071644  -0.001087   0.333503   0.263199
     3  C    0.026364  -0.588773   0.041156   0.024641  -0.094076  -0.008721
     4  C   -0.016377  -0.668525  -0.108911   0.030368   0.009107  -0.000061
     5  C    0.001328  -0.571008  -0.005855   0.013854  -0.009107   0.002639
     6  C   -0.000038   0.046221   0.003660  -0.000523  -0.000188  -0.000121
     7  O   -0.000003   0.000580   0.000927   0.000087   0.000247   0.000179
     8  C    0.103084  -0.302301  -0.006865  -0.004932  -0.009108   0.033134
     9  C    0.096266   0.104261  -0.024409   0.008664  -0.034806  -0.006493
    10  C    0.091953  -0.542451   0.126146   0.252247  -0.026876   0.013506
    11  C   -0.000001   0.001466  -0.000007  -0.000008   0.000009  -0.000006
    12  H   -0.447825   0.054028   0.097367  -0.176478   0.000573  -0.002696
    13  H    1.936415  -0.042806  -0.194307   0.117710  -0.036418   0.029400
    14  H   -0.042806   4.006841   0.096245  -0.217054   0.005359  -0.003587
    15  H   -0.194307   0.096245   1.323182  -0.417053   0.012248   0.002736
    16  H    0.117710  -0.217054  -0.417053   1.921687  -0.002367   0.002246
    17  H   -0.036418   0.005359   0.012248  -0.002367   0.863638  -0.080056
    18  H    0.029400  -0.003587   0.002736   0.002246  -0.080056   1.096993
    19  H    0.002489  -0.005627  -0.000132   0.001665  -0.063550  -0.129317
    20  H   -0.001690   0.031952  -0.000672   0.000191  -0.001976  -0.021134
    21  H   -0.000138   0.017262  -0.000635   0.000360  -0.002481   0.015099
    22  H    0.004491  -0.095925   0.000077   0.001956  -0.003079   0.006204
    23  H   -0.000302   0.276192  -0.038242  -0.006698   0.022802   0.000491
    24  H   -0.000021  -0.134130  -0.001501   0.002172   0.000702   0.000250
    25  H   -0.000000   0.000856   0.000011  -0.000007   0.000001  -0.000000
    26  H    0.000000  -0.000129  -0.000001   0.000000   0.000000  -0.000000
    27  H   -0.000000   0.000527   0.000002  -0.000002   0.000000   0.000000
              19         20         21         22         23         24
     1  C   -0.117406   0.015753   0.029716  -0.001134   0.007515   0.000348
     2  C    0.182045   0.272017   0.248980  -0.057583  -0.145739  -0.008307
     3  C   -0.002197   0.027608   0.027199  -0.052232  -0.045682  -0.137367
     4  C    0.038582   0.006618  -0.000574  -0.002309  -0.341964  -0.178834
     5  C    0.005809  -0.008430  -0.001052   0.010294  -1.197245   0.541442
     6  C    0.001985   0.000769   0.000010  -0.000111   0.068455  -0.466239
     7  O   -0.000448   0.000087  -0.000015   0.000050   0.079497   0.060593
     8  C    0.013396  -0.151208  -0.168389   0.530317  -0.020366   0.002349
     9  C    0.013045   0.002476   0.061286  -0.047126  -0.002557   0.001348
    10  C    0.001838  -0.014369  -0.018230   0.036933  -0.071586   0.006994
    11  C   -0.000023   0.000058   0.000003  -0.000024   0.011264  -0.065885
    12  H   -0.002842   0.001280  -0.010662  -0.007247  -0.000257  -0.000309
    13  H    0.002489  -0.001690  -0.000138   0.004491  -0.000302  -0.000021
    14  H   -0.005627   0.031952   0.017262  -0.095925   0.276192  -0.134130
    15  H   -0.000132  -0.000672  -0.000635   0.000077  -0.038242  -0.001501
    16  H    0.001665   0.000191   0.000360   0.001956  -0.006698   0.002172
    17  H   -0.063550  -0.001976  -0.002481  -0.003079   0.022802   0.000702
    18  H   -0.129317  -0.021134   0.015099   0.006204   0.000491   0.000250
    19  H    0.876923   0.027680  -0.021566   0.000061  -0.020629  -0.000785
    20  H    0.027680   0.831352   0.011973  -0.128150   0.000946  -0.001568
    21  H   -0.021566   0.011973   0.907394  -0.128035   0.001751   0.000061
    22  H    0.000061  -0.128150  -0.128035   1.011432  -0.001503   0.001484
    23  H   -0.020629   0.000946   0.001751  -0.001503   2.168142   0.020930
    24  H   -0.000785  -0.001568   0.000061   0.001484   0.020930   1.350532
    25  H   -0.000006   0.000006   0.000000  -0.000000   0.002829  -0.034029
    26  H   -0.000005  -0.000002   0.000000   0.000000  -0.002275   0.015002
    27  H   -0.000001   0.000013   0.000000  -0.000003   0.002335  -0.036921
              25         26         27
     1  C    0.000007   0.000002   0.000027
     2  C    0.000074  -0.000038   0.000045
     3  C    0.003147  -0.000860   0.003574
     4  C    0.002899  -0.008163   0.001433
     5  C   -0.032060   0.087008  -0.023258
     6  C    0.134265   0.128660   0.126112
     7  O   -0.004333   0.016287  -0.001570
     8  C   -0.000009   0.000003  -0.000031
     9  C   -0.000006   0.000002  -0.000008
    10  C   -0.000014   0.000005  -0.000005
    11  C    0.208782   0.189311   0.210288
    12  H    0.000000   0.000000   0.000000
    13  H   -0.000000   0.000000  -0.000000
    14  H    0.000856  -0.000129   0.000527
    15  H    0.000011  -0.000001   0.000002
    16  H   -0.000007   0.000000  -0.000002
    17  H    0.000001   0.000000   0.000000
    18  H   -0.000000  -0.000000   0.000000
    19  H   -0.000006  -0.000005  -0.000001
    20  H    0.000006  -0.000002   0.000013
    21  H    0.000000   0.000000   0.000000
    22  H   -0.000000   0.000000  -0.000003
    23  H    0.002829  -0.002275   0.002335
    24  H   -0.034029   0.015002  -0.036921
    25  H    0.641801  -0.010126   0.056549
    26  H   -0.010126   0.761404  -0.003311
    27  H    0.056549  -0.003311   0.628775
 Mulliken charges:
               1
     1  C    1.824947
     2  C   -4.517422
     3  C    0.593297
     4  C   -0.002721
     5  C   -0.737819
     6  C   -0.143676
     7  O   -0.418541
     8  C    1.482963
     9  C    1.064829
    10  C    0.887061
    11  C    0.857785
    12  H    0.050370
    13  H   -0.427403
    14  H   -0.265601
    15  H   -0.004017
    16  H   -0.535227
    17  H   -0.090280
    18  H   -0.053416
    19  H    0.199014
    20  H    0.098418
    21  H    0.030681
    22  H   -0.078840
    23  H    0.231897
    24  H    0.061688
    25  H    0.029361
    26  H   -0.172777
    27  H    0.035427
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.880264
     2  C   -4.517422
     3  C    0.327696
     4  C    0.229176
     5  C   -0.676131
     6  C   -0.143676
     7  O   -0.418541
     8  C    1.533222
     9  C    0.687796
    10  C    0.347817
    11  C    0.749797
 Electronic spatial extent (au):  <R**2>=           2528.0130
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.8158    Y=              0.8061    Z=             -2.5727  Tot=              3.2505
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.9867   YY=            -69.9942   ZZ=            -71.6323
   XY=              3.4430   XZ=             -8.8604   YZ=              0.6377
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1157   YY=              0.8769   ZZ=             -0.7612
   XY=              3.4430   XZ=             -8.8604   YZ=              0.6377
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.6569  YYY=             -1.0345  ZZZ=             -5.1415  XYY=              4.0998
  XXY=             11.3429  XXZ=            -25.4341  XZZ=             -8.3705  YZZ=             -0.1079
  YYZ=              2.1753  XYZ=              2.9068
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2589.5391 YYYY=           -471.8428 ZZZZ=           -403.1747 XXXY=             22.8023
 XXXZ=            -80.6243 YYYX=              4.3439 YYYZ=             -0.9116 ZZZX=             -4.7111
 ZZZY=             -0.5735 XXYY=           -517.0052 XXZZ=           -532.0526 YYZZ=           -143.3142
 XXYZ=             14.3466 YYXZ=             -1.5034 ZZXY=              6.5462
 N-N= 6.070291071897D+02 E-N=-2.292284071696D+03  KE= 4.602616250232D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:15:54 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.91470027D-01 3.08381737D-01-9.74521973D-01
 Polarizability= 1.61954153D+02 5.39450538D+00 1.04291144D+02
                -2.77385528D+00-3.01374036D+00 1.09144327D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1507    1.1519        3.0157    3.0171
 2     -1.1507   -1.1519        1.5123    1.5121      -33.9282  -33.9314
 3     -3.0157   -3.0171       31.6336   31.6382       -1.5116   -1.5121
 4     -1.5123   -1.5121        0.0000    0.0000       -3.0159   -3.0171
 5      2.2947    2.2932        3.0159    3.0171        1.1515    1.1519
 6      1.5116    1.5121       -1.1515   -1.1519        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.4556   -3.4556        9.0512    9.0512
 2     -4.5363   -4.5363       -0.0000    0.0000        9.0512    9.0512
 3     -4.5363   -4.5363       -3.4556   -3.4556       -0.0000    0.0000
 4     -3.4556   -3.4556        4.5363    4.5363     -101.7943 -101.7943
 5     -9.0512   -9.0512       94.9147   94.9147       -4.5363   -4.5363
 6      6.8796    6.8796        9.0512    9.0512        3.4556    3.4556
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0263    0.0000       -4.6370   -4.6075      -11.6951  -12.0683
 2      4.5424    4.6075       -6.1025   -6.0484      135.5898  135.7257
 3     12.0280   12.0683     -126.5124 -126.5529        6.0438    6.0484
 4      6.0371    6.0484       -0.0421    0.0000       12.1922   12.0683
 5     -9.1426   -9.1727      -12.1260  -12.0683       -4.4103   -4.6075
 6     -5.9976   -6.0484        4.5943    4.6075        0.0797    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0151    0.0000      -34.9898  -34.9921      -28.5168  -28.4813
 2     35.0249   34.9921       35.2487   35.3597       14.2803   14.0540
 3     28.3418   28.4813       40.7858   40.8155      -35.3230  -35.3597
 4    -35.3350  -35.3597        0.0171    0.0000       28.5737   28.4813
 5    -54.5951  -54.8695      -28.5901  -28.4813      -35.0065  -34.9921
 6     35.3379   35.3597       34.9659   34.9921       -0.1415    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -59.5919  -59.5499      -25.9750  -25.9931        2.2128    2.3969
 2    -87.6312  -87.6484      -55.4792  -55.4825        2.4376    2.3969
 3    -87.6364  -87.6484      -25.9914  -25.9931       -3.6914   -3.7567
 4     29.3857   29.4894       27.9474   28.0985       37.8324   37.4919
 5     -6.2088   -6.1536       33.7557   33.7478      -28.0541  -28.0985
 6    -71.0318  -71.2396        6.0866    6.1536      -29.9619  -29.4894
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9635   -2.8729   -0.0008   -0.0004    0.0002    4.5301
 Low frequencies ---   32.1270   63.4798   78.6601
 Diagonal vibrational polarizability:
       20.2521150      75.1209858      11.1512478
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     32.1132                63.4792                78.6590
 Red. masses --      3.3272                 3.9353                 3.1815
 Frc consts  --      0.0020                 0.0093                 0.0116
 IR Inten    --      2.7823                 1.5390                 0.9613
 RamAct Fr= 1--      2.0143                 1.0876                 0.3115
  Dep-P Fr= 1--      0.7276                 0.7215                 0.4739
  Dep-U Fr= 1--      0.8423                 0.8382                 0.6430
 Alpha2 Fr= 1--      0.0008                 0.0005                 0.0017
 Beta2  Fr= 1--      0.2828                 0.1519                 0.0334
 AlphaG Fr= 1--     -0.0037                 0.0055                 0.0110
 Gamma2 Fr= 1--     -0.1795                 0.1221                 0.4065
 Delta2 Fr= 1--     -0.0578                -0.0510                 0.1068
 Raman1 Fr= 1--       8.057                  4.351                  1.246
 ROA1   Fr= 1--     -19.080                 10.088                 42.444
 CID1   Fr= 1--      -2.368                  2.319                 34.063
 Raman2 Fr= 1--       3.393                  1.823                  0.401
 ROA2   Fr= 1--      -3.844                  3.337                  8.903
 CID2   Fr= 1--      -1.133                  1.830                 22.222
 Raman3 Fr= 1--       6.787                  3.647                  0.801
 ROA3   Fr= 1--     -19.080                 10.088                 42.444
 CID3   Fr= 1--      -2.811                  2.766                 52.973
 RC180  Fr= 1--       0.685                  0.676                  0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07  -0.03     0.06  -0.12   0.02     0.23   0.04  -0.01
     2   6     0.04   0.01  -0.02     0.07  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.09  -0.01    -0.01  -0.12  -0.01    -0.02   0.01  -0.11
     4   6    -0.01  -0.11  -0.02    -0.01  -0.15  -0.02    -0.01  -0.02  -0.14
     5   6    -0.03  -0.01   0.01    -0.04  -0.04  -0.00     0.00   0.05  -0.07
     6   6    -0.03   0.00   0.01    -0.04   0.08   0.01    -0.05   0.02   0.03
     7   8     0.01  -0.17  -0.06    -0.05   0.25   0.06    -0.16   0.05   0.05
     8   6     0.11  -0.01  -0.08     0.24   0.05   0.07    -0.08  -0.03   0.01
     9   6    -0.03   0.04   0.06    -0.04   0.09  -0.06     0.01  -0.03   0.15
    10   6    -0.08  -0.03   0.07    -0.13  -0.04  -0.02    -0.01  -0.00  -0.08
    11   6    -0.08   0.27   0.09    -0.05  -0.01  -0.05     0.04  -0.06   0.12
    12   1    -0.04   0.03   0.06     0.03   0.16  -0.09    -0.17  -0.02   0.26
    13   1    -0.02   0.12   0.09    -0.12   0.15  -0.11     0.16  -0.06   0.28
    14   1    -0.02  -0.14  -0.02    -0.01  -0.12  -0.01    -0.06   0.05  -0.10
    15   1    -0.09  -0.01   0.09    -0.21  -0.04  -0.00     0.12  -0.07  -0.15
    16   1    -0.14  -0.07   0.10    -0.17  -0.05  -0.01    -0.12   0.06  -0.13
    17   1     0.04   0.09   0.01    -0.05  -0.17  -0.03     0.29   0.05  -0.01
    18   1     0.12   0.15  -0.03     0.09  -0.06   0.02     0.28   0.05   0.09
    19   1     0.13   0.04  -0.09     0.12  -0.22   0.07     0.25   0.05  -0.14
    20   1     0.16  -0.05  -0.14     0.33  -0.07   0.11    -0.07  -0.01  -0.11
    21   1     0.15   0.07  -0.08     0.30   0.15   0.09    -0.03  -0.04   0.12
    22   1     0.07  -0.06  -0.07     0.23   0.12   0.07    -0.22  -0.07   0.04
    23   1     0.01  -0.20  -0.05     0.00  -0.17  -0.03    -0.01  -0.09  -0.16
    24   1    -0.05   0.08   0.04    -0.06  -0.03   0.00     0.06   0.11  -0.05
    25   1    -0.01   0.44  -0.02    -0.01  -0.16   0.05     0.10  -0.11   0.15
    26   1    -0.07   0.26   0.08    -0.06   0.12  -0.03    -0.02  -0.07   0.20
    27   1    -0.19   0.31   0.27    -0.08  -0.07  -0.23     0.11  -0.07   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.5158               134.1099               156.7667
 Red. masses --      1.1395                 2.3320                 2.9904
 Frc consts  --      0.0090                 0.0247                 0.0433
 IR Inten    --      0.0020                 0.1368                 1.6991
 RamAct Fr= 1--      0.6357                 0.9583                 0.6093
  Dep-P Fr= 1--      0.7285                 0.7436                 0.6461
  Dep-U Fr= 1--      0.8429                 0.8529                 0.7850
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0011
 Beta2  Fr= 1--      0.0893                 0.1362                 0.0797
 AlphaG Fr= 1--     -0.0018                 0.0002                -0.0032
 Gamma2 Fr= 1--     -0.0906                 0.7730                -0.5867
 Delta2 Fr= 1--      0.0329                 0.0821                -0.1485
 Raman1 Fr= 1--       2.543                  3.833                  2.437
 ROA1   Fr= 1--      -7.640                 76.837                -61.076
 CID1   Fr= 1--      -3.004                 20.046                -25.058
 Raman2 Fr= 1--       1.072                  1.635                  0.957
 ROA2   Fr= 1--      -2.436                 17.896                -12.892
 CID2   Fr= 1--      -2.273                 10.948                -13.476
 Raman3 Fr= 1--       2.144                  3.269                  1.913
 ROA3   Fr= 1--      -7.640                 76.837                -61.076
 CID3   Fr= 1--      -3.564                 23.502                -31.920
 RC180  Fr= 1--       0.686                  0.706                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01     0.01   0.03  -0.01    -0.04  -0.08  -0.00
     2   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.00  -0.01  -0.02
     3   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.03   0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.05   0.04     0.03   0.09  -0.09
     5   6     0.02  -0.07  -0.03    -0.06   0.24   0.14    -0.01   0.17  -0.09
     6   6     0.00  -0.01  -0.01    -0.01   0.06   0.04    -0.03   0.04  -0.05
     7   8    -0.00  -0.03  -0.01     0.06  -0.07  -0.01    -0.14  -0.06  -0.07
     8   6    -0.02   0.01   0.02     0.02  -0.03  -0.05     0.07   0.03   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01  -0.01  -0.05
    10   6     0.01   0.01   0.00    -0.01  -0.01  -0.05     0.04  -0.04   0.22
    11   6    -0.00   0.05   0.02    -0.02  -0.07  -0.06     0.08  -0.05   0.07
    12   1     0.00   0.00  -0.00    -0.05  -0.00   0.04     0.19  -0.08  -0.16
    13   1     0.00   0.00  -0.00     0.03  -0.03   0.04    -0.13   0.08  -0.15
    14   1    -0.00   0.01  -0.00     0.04   0.01   0.02    -0.12  -0.15  -0.03
    15   1     0.01   0.01   0.00    -0.01  -0.06  -0.08     0.00   0.19   0.37
    16   1     0.01   0.01   0.00    -0.04   0.03  -0.08     0.11  -0.24   0.38
    17   1     0.00  -0.00   0.00    -0.01   0.04   0.01    -0.07  -0.10  -0.03
    18   1    -0.01  -0.01   0.01     0.03   0.06  -0.02    -0.05  -0.09  -0.01
    19   1    -0.02   0.01   0.01     0.03   0.01  -0.04    -0.04  -0.09   0.05
    20   1    -0.03   0.02   0.03     0.03  -0.04  -0.09     0.10  -0.02   0.07
    21   1    -0.02  -0.01   0.02     0.03   0.00  -0.06     0.08   0.06   0.03
    22   1    -0.01   0.02   0.01     0.00  -0.07  -0.04     0.08   0.08   0.02
    23   1    -0.01   0.09   0.02     0.02  -0.33  -0.07     0.11   0.05  -0.11
    24   1     0.03  -0.13  -0.06    -0.12   0.51   0.24     0.01   0.22  -0.07
    25   1     0.35  -0.32   0.31     0.03  -0.37   0.14     0.15  -0.10   0.12
    26   1    -0.09   0.54   0.21    -0.03   0.14  -0.03     0.01  -0.08   0.18
    27   1    -0.24  -0.15  -0.46    -0.06  -0.19  -0.41     0.19  -0.06   0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.1455               245.4155               262.9542
 Red. masses --      1.3354                 1.8317                 2.7569
 Frc consts  --      0.0385                 0.0650                 0.1123
 IR Inten    --      0.1455                 0.7524                 0.1632
 RamAct Fr= 1--      0.5254                 0.5313                 5.6122
  Dep-P Fr= 1--      0.5364                 0.7404                 0.1851
  Dep-U Fr= 1--      0.6982                 0.8508                 0.3124
 Alpha2 Fr= 1--      0.0022                 0.0001                 0.0793
 Beta2  Fr= 1--      0.0611                 0.0753                 0.2922
 AlphaG Fr= 1--     -0.0125                -0.0018                -0.0616
 Gamma2 Fr= 1--     -0.5194                 0.4260                -0.1385
 Delta2 Fr= 1--     -0.0494                 0.3282                -0.0862
 Raman1 Fr= 1--       2.101                  2.125                 22.449
 ROA1   Fr= 1--     -51.441                 51.402                -16.052
 CID1   Fr= 1--     -24.479                 24.187                 -0.715
 Raman2 Fr= 1--       0.734                  0.904                  3.507
 ROA2   Fr= 1--     -12.070                  7.599                 -2.633
 CID2   Fr= 1--     -16.452                  8.406                 -0.751
 Raman3 Fr= 1--       1.467                  1.808                  7.014
 ROA3   Fr= 1--     -51.441                 51.402                -16.052
 CID3   Fr= 1--     -35.060                 28.428                 -2.289
 RC180  Fr= 1--       0.396                  0.702                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.03    -0.11   0.07   0.08    -0.12   0.02   0.02
     2   6     0.01   0.02  -0.03     0.02  -0.01   0.07    -0.04   0.01   0.01
     3   6     0.00  -0.03  -0.02     0.01  -0.00   0.05    -0.03  -0.05  -0.01
     4   6     0.01  -0.05  -0.02     0.03  -0.03  -0.01     0.05  -0.13  -0.10
     5   6     0.01  -0.00   0.02    -0.00   0.01  -0.06     0.07  -0.00  -0.03
     6   6     0.02   0.00   0.01    -0.01   0.01  -0.05     0.10   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.01  -0.04     0.11   0.05  -0.01
     8   6    -0.10   0.02   0.03     0.09  -0.05  -0.03    -0.09  -0.00   0.01
     9   6    -0.01   0.04  -0.03     0.01  -0.01   0.06    -0.08   0.06   0.02
    10   6    -0.03   0.00   0.05     0.00  -0.00  -0.08    -0.13   0.01   0.02
    11   6     0.01   0.00  -0.00     0.05   0.00   0.03     0.18   0.01   0.06
    12   1     0.06   0.04  -0.07    -0.09   0.03   0.13    -0.09   0.08   0.03
    13   1    -0.07   0.09  -0.07     0.10  -0.07   0.12    -0.08   0.09   0.03
    14   1     0.00  -0.06  -0.03    -0.00   0.08   0.07    -0.08  -0.04  -0.01
    15   1    -0.06   0.07   0.10     0.01  -0.14  -0.17    -0.16   0.01   0.02
    16   1    -0.03  -0.07   0.10    -0.03   0.12  -0.18    -0.18  -0.01   0.03
    17   1    -0.05  -0.03  -0.03    -0.24   0.08   0.16     0.08   0.05   0.01
    18   1     0.14   0.12   0.00    -0.14   0.16  -0.06    -0.24  -0.21  -0.01
    19   1     0.16  -0.12  -0.06    -0.10   0.03   0.13    -0.29   0.21   0.08
    20   1    -0.38   0.26   0.41    -0.06   0.06   0.28    -0.03  -0.03  -0.20
    21   1    -0.39  -0.32  -0.24    -0.13  -0.16  -0.38     0.01   0.05   0.17
    22   1     0.31   0.11  -0.04     0.52  -0.07  -0.08    -0.33  -0.05   0.04
    23   1     0.01  -0.11  -0.04     0.09  -0.06  -0.03     0.09  -0.29  -0.16
    24   1     0.01   0.05   0.04    -0.04   0.04  -0.05     0.07   0.15   0.03
    25   1    -0.00  -0.00  -0.00     0.10   0.01   0.03     0.26   0.03   0.06
    26   1     0.01   0.00  -0.01     0.00  -0.03   0.09     0.11  -0.03   0.16
    27   1     0.00  -0.00  -0.00     0.09   0.01   0.03     0.24   0.03   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    286.5650               319.1396               344.6984
 Red. masses --      1.1104                 2.3261                 2.5115
 Frc consts  --      0.0537                 0.1396                 0.1758
 IR Inten    --      0.0607                 1.0713                 2.2778
 RamAct Fr= 1--      0.8317                 2.1973                 0.3005
  Dep-P Fr= 1--      0.1862                 0.5174                 0.4222
  Dep-U Fr= 1--      0.3139                 0.6819                 0.5937
 Alpha2 Fr= 1--      0.0117                 0.0100                 0.0021
 Beta2  Fr= 1--      0.0435                 0.2497                 0.0297
 AlphaG Fr= 1--     -0.0111                 0.0527                -0.0085
 Gamma2 Fr= 1--      0.0028                 0.2418                -0.6053
 Delta2 Fr= 1--      0.0113                 0.0441                -0.2280
 Raman1 Fr= 1--       3.327                  8.789                  1.202
 ROA1   Fr= 1--       0.631                 24.628                -65.407
 CID1   Fr= 1--       0.190                  2.802                -54.413
 Raman2 Fr= 1--       0.522                  2.997                  0.357
 ROA2   Fr= 1--      -0.023                  5.451                -12.703
 CID2   Fr= 1--      -0.044                  1.819                -35.598
 Raman3 Fr= 1--       1.044                  5.993                  0.714
 ROA3   Fr= 1--       0.631                 24.628                -65.407
 CID3   Fr= 1--       0.604                  4.109                -91.646
 RC180  Fr= 1--      -0.372                  0.364                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.03  -0.14  -0.04     0.12  -0.02   0.05
     2   6     0.03   0.01  -0.00    -0.04  -0.01  -0.04     0.00  -0.02   0.06
     3   6     0.02  -0.01   0.00    -0.06   0.01  -0.04     0.01  -0.02   0.13
     4   6     0.01  -0.03   0.00    -0.06   0.16   0.01     0.01   0.05   0.15
     5   6    -0.01  -0.00   0.00     0.01   0.03   0.02    -0.04   0.01  -0.00
     6   6    -0.03  -0.00   0.00     0.04   0.02   0.03    -0.01   0.04  -0.07
     7   8    -0.03  -0.01   0.01     0.09  -0.02   0.01    -0.05   0.00  -0.08
     8   6     0.01   0.01   0.01     0.07  -0.00  -0.07    -0.05  -0.10  -0.07
     9   6     0.03   0.01  -0.01    -0.09   0.00   0.11    -0.03   0.07  -0.11
    10   6     0.02   0.00   0.01    -0.09  -0.00   0.01    -0.08  -0.00  -0.05
    11   6    -0.04  -0.00  -0.02     0.05  -0.00   0.02     0.09   0.00   0.04
    12   1     0.04   0.02  -0.02    -0.26  -0.07   0.20     0.13   0.22  -0.17
    13   1     0.02   0.02  -0.02     0.06   0.04   0.27    -0.18   0.06  -0.26
    14   1     0.03  -0.01   0.00    -0.06  -0.05  -0.06     0.08  -0.01   0.14
    15   1     0.01   0.01   0.01    -0.04  -0.06  -0.04    -0.24  -0.11  -0.07
    16   1     0.02  -0.01   0.01    -0.17   0.04  -0.03    -0.03   0.09  -0.12
    17   1     0.54   0.10  -0.06     0.16  -0.19  -0.19     0.27  -0.02  -0.00
    18   1    -0.20  -0.50   0.06    -0.01  -0.32   0.06     0.17  -0.08   0.20
    19   1    -0.34   0.45  -0.01    -0.05  -0.08   0.02     0.12   0.02  -0.07
    20   1    -0.05   0.07   0.12     0.04  -0.00   0.13    -0.08  -0.03  -0.22
    21   1    -0.06  -0.07  -0.08    -0.03  -0.00  -0.30    -0.06  -0.09  -0.09
    22   1     0.14   0.04  -0.01     0.35   0.00  -0.11    -0.10  -0.27  -0.04
    23   1     0.01  -0.05  -0.01    -0.12   0.35   0.08     0.09   0.18   0.18
    24   1    -0.02   0.02   0.01     0.09  -0.14  -0.04    -0.14  -0.11  -0.04
    25   1    -0.07  -0.01  -0.02     0.05  -0.02   0.03     0.18   0.00   0.05
    26   1    -0.03   0.01  -0.04     0.04  -0.03   0.03     0.00  -0.07   0.16
    27   1    -0.07  -0.01  -0.02     0.09   0.00   0.00     0.20   0.02   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    365.5603               412.3104               441.7611
 Red. masses --      2.3287                 2.6408                 2.2692
 Frc consts  --      0.1833                 0.2645                 0.2609
 IR Inten    --      0.1812                 1.8293                 0.4321
 RamAct Fr= 1--      1.4851                 2.4695                 0.4226
  Dep-P Fr= 1--      0.4160                 0.2432                 0.7176
  Dep-U Fr= 1--      0.5876                 0.3912                 0.8356
 Alpha2 Fr= 1--      0.0104                 0.0298                 0.0002
 Beta2  Fr= 1--      0.1454                 0.1610                 0.0589
 AlphaG Fr= 1--      0.0295                -0.0210                -0.0096
 Gamma2 Fr= 1--      0.2090                 0.3421                 0.3202
 Delta2 Fr= 1--      0.1533                 0.0916                 0.2197
 Raman1 Fr= 1--       5.941                  9.878                  1.690
 ROA1   Fr= 1--      24.970                 35.771                 37.774
 CID1   Fr= 1--       4.203                  3.621                 22.347
 Raman2 Fr= 1--       1.745                  1.932                  0.706
 ROA2   Fr= 1--       3.791                  7.477                  5.928
 CID2   Fr= 1--       2.172                  3.870                  8.394
 Raman3 Fr= 1--       3.491                  3.864                  1.412
 ROA3   Fr= 1--      24.970                 35.771                 37.774
 CID3   Fr= 1--       7.154                  9.257                 26.744
 RC180  Fr= 1--       0.175                 -0.218                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.16  -0.07    -0.04  -0.05  -0.13    -0.05   0.02  -0.00
     2   6    -0.06  -0.07  -0.03     0.05   0.05  -0.13     0.14  -0.02  -0.02
     3   6    -0.05  -0.07  -0.01     0.07  -0.04   0.04     0.07  -0.12  -0.03
     4   6    -0.05   0.06   0.03     0.02  -0.08   0.17     0.06   0.10  -0.01
     5   6    -0.02   0.01   0.01    -0.07  -0.03   0.05     0.06   0.06  -0.03
     6   6     0.01   0.03  -0.01    -0.03   0.03  -0.08     0.01   0.06   0.06
     7   8     0.05  -0.00  -0.03    -0.06   0.02  -0.08    -0.04  -0.06   0.03
     8   6     0.05   0.04   0.15    -0.05   0.13   0.02    -0.04  -0.04   0.05
     9   6    -0.05  -0.10  -0.06     0.04   0.00   0.09     0.04   0.10   0.02
    10   6    -0.03  -0.10  -0.04     0.03  -0.01   0.01    -0.09  -0.07  -0.03
    11   6     0.06  -0.00   0.03     0.06   0.00   0.02    -0.05  -0.00  -0.04
    12   1    -0.02  -0.09  -0.07    -0.18  -0.16   0.18     0.02   0.16   0.04
    13   1    -0.07  -0.13  -0.09     0.23   0.09   0.29     0.03   0.20   0.05
    14   1    -0.04  -0.08  -0.02     0.24  -0.13   0.03     0.05  -0.19  -0.05
    15   1    -0.06  -0.12  -0.05     0.04  -0.15  -0.08    -0.16  -0.18  -0.08
    16   1    -0.01  -0.07  -0.07    -0.03   0.09  -0.08    -0.22   0.01  -0.09
    17   1     0.15   0.30   0.15    -0.12  -0.12  -0.22    -0.18   0.04   0.09
    18   1     0.05   0.22  -0.08    -0.07  -0.08  -0.17    -0.15   0.05  -0.23
    19   1    -0.00   0.28  -0.31    -0.03  -0.11   0.02    -0.10   0.04   0.15
    20   1     0.10  -0.08   0.38    -0.07   0.15   0.05    -0.13   0.09  -0.05
    21   1     0.07   0.03   0.21    -0.02   0.02   0.20    -0.05  -0.22   0.22
    22   1     0.11   0.30   0.12    -0.17   0.30   0.02    -0.21  -0.02   0.07
    23   1    -0.07   0.18   0.07     0.04  -0.08   0.16     0.06   0.37   0.08
    24   1    -0.01  -0.10  -0.03    -0.24  -0.04   0.04     0.16  -0.18  -0.11
    25   1     0.10  -0.01   0.04     0.16   0.01   0.03    -0.23  -0.07  -0.02
    26   1     0.01  -0.06   0.09    -0.03  -0.06   0.16     0.05  -0.00  -0.19
    27   1     0.14   0.01   0.02     0.17   0.02   0.03    -0.06  -0.02  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    514.1255               585.6902               594.9856
 Red. masses --      2.8326                 2.5264                 2.9181
 Frc consts  --      0.4411                 0.5106                 0.6086
 IR Inten    --     13.2130                 1.8589                 7.3963
 RamAct Fr= 1--      1.5443                 1.8698                 5.4070
  Dep-P Fr= 1--      0.2368                 0.0311                 0.6710
  Dep-U Fr= 1--      0.3829                 0.0604                 0.8031
 Alpha2 Fr= 1--      0.0190                 0.0386                 0.0076
 Beta2  Fr= 1--      0.0986                 0.0188                 0.7237
 AlphaG Fr= 1--     -0.0206                -0.1749                -0.0354
 Gamma2 Fr= 1--     -0.7105                 0.1392                -0.9030
 Delta2 Fr= 1--     -0.1908                -0.1931                 0.0807
 Raman1 Fr= 1--       6.177                  7.479                 21.628
 ROA1   Fr= 1--     -74.311                  7.190                -84.104
 CID1   Fr= 1--     -12.030                  0.961                 -3.889
 Raman2 Fr= 1--       1.183                  0.226                  8.685
 ROA2   Fr= 1--     -15.526                  4.886                -22.318
 CID2   Fr= 1--     -13.127                 21.637                 -2.570
 Raman3 Fr= 1--       2.365                  0.452                 17.370
 ROA3   Fr= 1--     -74.311                  7.190                -84.104
 CID3   Fr= 1--     -31.415                 15.917                 -4.842
 RC180  Fr= 1--      -0.234                 -0.879                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.07     0.01   0.00   0.06    -0.01  -0.01  -0.06
     2   6    -0.13   0.00  -0.03    -0.06   0.06   0.03    -0.01  -0.08  -0.01
     3   6     0.02   0.00   0.16    -0.02  -0.02   0.03     0.04   0.08  -0.10
     4   6     0.16   0.01   0.01     0.02  -0.09  -0.04    -0.00  -0.05   0.06
     5   6     0.13   0.04  -0.06     0.02  -0.08  -0.04     0.03  -0.07   0.09
     6   6     0.09  -0.06   0.03    -0.04   0.25   0.10     0.05   0.11   0.03
     7   8    -0.12  -0.02   0.07     0.02  -0.08  -0.02    -0.13  -0.05  -0.01
     8   6    -0.01   0.06  -0.01    -0.03   0.11  -0.05     0.03  -0.15   0.06
     9   6    -0.11  -0.06  -0.01     0.01  -0.05  -0.01    -0.09   0.02   0.00
    10   6    -0.05  -0.01   0.00     0.03  -0.02  -0.01    -0.01   0.15   0.00
    11   6     0.00   0.03  -0.08    -0.01   0.02   0.01     0.11   0.06  -0.09
    12   1    -0.20  -0.13   0.03     0.03  -0.08  -0.03    -0.19   0.07   0.07
    13   1    -0.02  -0.08   0.06    -0.01  -0.10  -0.05     0.02  -0.03   0.09
    14   1     0.04  -0.03   0.15    -0.04  -0.02   0.03     0.12   0.18  -0.06
    15   1    -0.17  -0.19  -0.08     0.03  -0.08  -0.04     0.04   0.47   0.18
    16   1     0.03   0.15  -0.12     0.06   0.03  -0.05     0.03  -0.14   0.24
    17   1     0.12  -0.03  -0.14     0.04  -0.05  -0.05    -0.00   0.06   0.07
    18   1     0.12   0.00   0.14     0.06  -0.02   0.19    -0.03   0.04  -0.14
    19   1     0.09  -0.04  -0.24     0.05  -0.04   0.04    -0.03   0.05  -0.14
    20   1     0.06  -0.05   0.08     0.01   0.07  -0.06     0.06  -0.19   0.11
    21   1     0.02   0.15  -0.03    -0.02   0.18  -0.12     0.04  -0.14   0.07
    22   1     0.04   0.14  -0.03     0.02   0.06  -0.05     0.05  -0.10   0.06
    23   1     0.37  -0.09  -0.04     0.03   0.07   0.02    -0.15  -0.04   0.08
    24   1     0.15   0.17  -0.01     0.06  -0.24  -0.10    -0.05  -0.12   0.07
    25   1    -0.12   0.06  -0.12    -0.40  -0.30   0.17    -0.09  -0.07  -0.03
    26   1     0.15   0.20  -0.29     0.06  -0.28  -0.11     0.20  -0.01  -0.22
    27   1    -0.26  -0.00  -0.05     0.42  -0.01  -0.27     0.21   0.04  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.6607               729.6673               800.7121
 Red. masses --      3.4855                 1.9784                 1.8776
 Frc consts  --      0.8168                 0.6206                 0.7092
 IR Inten    --      6.9052                 0.8473                 1.3251
 RamAct Fr= 1--     10.3265                 8.8924                26.3440
  Dep-P Fr= 1--      0.0411                 0.0297                 0.3877
  Dep-U Fr= 1--      0.0789                 0.0577                 0.5588
 Alpha2 Fr= 1--      0.2084                 0.1843                 0.2038
 Beta2  Fr= 1--      0.1358                 0.0854                 2.4535
 AlphaG Fr= 1--      0.1837                 0.0784                -0.0353
 Gamma2 Fr= 1--      1.0605                -0.3881                -0.5171
 Delta2 Fr= 1--     -0.3224                 0.4648                 0.4828
 Raman1 Fr= 1--      41.306                 35.570                105.376
 ROA1   Fr= 1--      91.492                -22.379                -34.194
 CID1   Fr= 1--       2.215                 -0.629                 -0.324
 Raman2 Fr= 1--       1.629                  1.025                 29.442
 ROA2   Fr= 1--      28.032                -13.032                -16.274
 CID2   Fr= 1--      17.206                -12.710                 -0.553
 Raman3 Fr= 1--       3.258                  2.051                 58.884
 ROA3   Fr= 1--      91.492                -22.379                -34.194
 CID3   Fr= 1--      28.079                -10.913                 -0.581
 RC180  Fr= 1--      -0.842                 -0.885                  0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.13     0.02   0.01   0.13     0.02   0.00  -0.00
     2   6     0.01   0.07   0.03    -0.00   0.01   0.00     0.12   0.01  -0.02
     3   6    -0.07  -0.06  -0.10     0.09  -0.09  -0.08    -0.10   0.01   0.13
     4   6    -0.11   0.01   0.01     0.07  -0.01   0.04    -0.07   0.02  -0.04
     5   6    -0.00  -0.00   0.14     0.02   0.06   0.02    -0.06  -0.03  -0.05
     6   6     0.11  -0.05   0.00    -0.01  -0.02  -0.03     0.00  -0.01   0.04
     7   8    -0.15  -0.02   0.04     0.01   0.01  -0.02     0.01  -0.01   0.04
     8   6    -0.02   0.13  -0.06    -0.02   0.09  -0.04     0.04   0.01  -0.01
     9   6     0.08  -0.04   0.01    -0.08  -0.07  -0.06    -0.03  -0.01  -0.09
    10   6    -0.00  -0.13  -0.01    -0.03   0.03  -0.06     0.04  -0.01  -0.03
    11   6     0.19   0.07  -0.14    -0.05  -0.03   0.03     0.06   0.03  -0.03
    12   1     0.24  -0.03  -0.09    -0.37  -0.02   0.12    -0.41   0.01   0.14
    13   1    -0.08  -0.02  -0.13     0.19  -0.27   0.12     0.32  -0.10   0.21
    14   1    -0.12  -0.09  -0.11     0.18  -0.04  -0.07    -0.21  -0.03   0.11
    15   1     0.10  -0.17  -0.06    -0.15   0.38   0.19    -0.25   0.10   0.12
    16   1    -0.12  -0.10  -0.05     0.09  -0.35   0.24     0.42  -0.09   0.04
    17   1    -0.01  -0.03   0.05     0.02   0.02   0.14    -0.02  -0.00   0.01
    18   1    -0.00  -0.03   0.14     0.02   0.01   0.14    -0.03  -0.02  -0.10
    19   1     0.01  -0.01   0.24     0.01   0.01   0.15    -0.01   0.01   0.11
    20   1    -0.04   0.15  -0.11    -0.03   0.11  -0.06    -0.13   0.22  -0.10
    21   1    -0.04   0.16  -0.13    -0.03   0.09  -0.06    -0.03  -0.25   0.12
    22   1     0.01   0.04  -0.06    -0.02   0.07  -0.04    -0.12  -0.02   0.02
    23   1    -0.32   0.02   0.03     0.06   0.16   0.10    -0.00  -0.07  -0.07
    24   1    -0.03  -0.06   0.11     0.03  -0.15  -0.05    -0.05   0.13   0.00
    25   1     0.21   0.15  -0.19     0.05   0.04  -0.01    -0.01  -0.01  -0.01
    26   1     0.27   0.23  -0.25    -0.09   0.02   0.08     0.11   0.03  -0.10
    27   1    -0.03   0.06  -0.06    -0.12  -0.02   0.09     0.07   0.02  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    853.6635               880.8793               904.7358
 Red. masses --      2.1341                 1.9150                 1.9728
 Frc consts  --      0.9163                 0.8755                 0.9515
 IR Inten    --      0.7985                 0.7217                 7.4362
 RamAct Fr= 1--      2.9561                 6.6727                22.1414
  Dep-P Fr= 1--      0.7417                 0.7271                 0.4407
  Dep-U Fr= 1--      0.8517                 0.8420                 0.6117
 Alpha2 Fr= 1--      0.0004                 0.0026                 0.1409
 Beta2  Fr= 1--      0.4196                 0.9364                 2.2575
 AlphaG Fr= 1--      0.0309                -0.0209                 0.0924
 Gamma2 Fr= 1--     -0.0277                -1.3652                -1.9345
 Delta2 Fr= 1--     -1.0151                 1.2111                -1.2810
 Raman1 Fr= 1--      11.825                 26.691                 88.565
 ROA1   Fr= 1--     -35.145                -92.307               -226.703
 CID1   Fr= 1--      -2.972                 -3.458                 -2.560
 Raman2 Fr= 1--       5.035                 11.237                 27.090
 ROA2   Fr= 1--       7.455                -42.454                -36.179
 CID2   Fr= 1--       1.480                 -3.778                 -1.336
 Raman3 Fr= 1--      10.071                 22.474                 54.179
 ROA3   Fr= 1--     -35.145                -92.307               -226.703
 CID3   Fr= 1--      -3.490                 -4.107                 -4.184
 RC180  Fr= 1--       0.703                  0.684                  0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.05    -0.05  -0.00  -0.03    -0.01  -0.00   0.08
     2   6     0.08  -0.03  -0.03    -0.10  -0.00   0.03    -0.04  -0.00  -0.05
     3   6     0.01   0.11  -0.03    -0.00  -0.01  -0.00     0.01  -0.04  -0.01
     4   6     0.03   0.12   0.06    -0.00   0.06   0.02    -0.01   0.03  -0.06
     5   6     0.08  -0.14  -0.00     0.02  -0.06  -0.01     0.12  -0.04   0.14
     6   6     0.01   0.02  -0.03     0.00  -0.00  -0.00    -0.01   0.01  -0.04
     7   8    -0.01   0.01  -0.04    -0.00   0.00  -0.00    -0.03   0.02  -0.06
     8   6     0.02   0.03  -0.03    -0.05  -0.02   0.02     0.00  -0.04   0.00
     9   6    -0.05  -0.08   0.00     0.16   0.12  -0.01    -0.05   0.08  -0.06
    10   6    -0.09  -0.08   0.01    -0.01  -0.12  -0.07     0.09   0.01   0.06
    11   6    -0.05   0.02   0.03    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    12   1     0.06  -0.10  -0.07    -0.12   0.26   0.18    -0.26  -0.13   0.02
    13   1    -0.15  -0.02  -0.07     0.35   0.12   0.17     0.13   0.24   0.17
    14   1     0.07   0.11  -0.03    -0.02   0.08   0.02    -0.14  -0.31  -0.10
    15   1     0.01  -0.03   0.01    -0.18   0.16   0.16    -0.08  -0.28  -0.08
    16   1    -0.21  -0.12   0.04    -0.00  -0.40   0.16     0.27   0.30  -0.17
    17   1    -0.05   0.03   0.13     0.07  -0.01  -0.09     0.07   0.04   0.12
    18   1    -0.06  -0.01  -0.14     0.08   0.03   0.20     0.06   0.05   0.17
    19   1    -0.04   0.05   0.18     0.05  -0.05  -0.22     0.03   0.01  -0.08
    20   1    -0.06   0.13  -0.05     0.11  -0.22   0.09     0.01  -0.05   0.03
    21   1    -0.01  -0.08   0.04     0.02   0.23  -0.11     0.01  -0.05   0.04
    22   1    -0.05   0.06  -0.02     0.10  -0.02  -0.00    -0.02   0.01   0.00
    23   1     0.04  -0.30  -0.08     0.03  -0.11  -0.04    -0.21  -0.04  -0.07
    24   1    -0.05   0.62   0.27    -0.04   0.26   0.10     0.24   0.07   0.18
    25   1    -0.17  -0.12   0.11    -0.06  -0.04   0.04     0.10  -0.01   0.01
    26   1    -0.06  -0.12   0.03    -0.00  -0.04  -0.01    -0.20  -0.11   0.19
    27   1     0.13   0.00  -0.09     0.05   0.00  -0.04     0.12   0.03   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    915.7661               950.4378               958.9494
 Red. masses --      2.4832                 2.0266                 1.6126
 Frc consts  --      1.2269                 1.0786                 0.8737
 IR Inten    --      0.7214                20.6559                17.2748
 RamAct Fr= 1--     14.9895                13.7895                17.9895
  Dep-P Fr= 1--      0.4084                 0.5447                 0.3572
  Dep-U Fr= 1--      0.5800                 0.7053                 0.5264
 Alpha2 Fr= 1--      0.1077                 0.0543                 0.1542
 Beta2  Fr= 1--      1.4489                 1.6209                 1.5783
 AlphaG Fr= 1--      0.5050                 0.1242                 0.4431
 Gamma2 Fr= 1--      2.4685                 3.4313                 3.1833
 Delta2 Fr= 1--      0.1966                -0.5356                 1.1428
 Raman1 Fr= 1--      59.958                 55.158                 71.958
 ROA1   Fr= 1--     243.272                312.262                342.168
 CID1   Fr= 1--       4.057                  5.661                  4.755
 Raman2 Fr= 1--      17.387                 19.451                 18.940
 ROA2   Fr= 1--      57.672                 86.635                 67.257
 CID2   Fr= 1--       3.317                  4.454                  3.551
 Raman3 Fr= 1--      34.774                 38.902                 37.880
 ROA3   Fr= 1--     243.272                312.262                342.168
 CID3   Fr= 1--       6.996                  8.027                  9.033
 RC180  Fr= 1--       0.160                  0.411                  0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.13    -0.01   0.06   0.00    -0.01   0.08   0.07
     2   6     0.06   0.04   0.08    -0.01   0.07  -0.01    -0.00   0.03  -0.08
     3   6    -0.08   0.08   0.07     0.04  -0.01   0.01    -0.04   0.07   0.00
     4   6     0.04  -0.05  -0.05    -0.02   0.02  -0.03     0.01  -0.03   0.01
     5   6     0.13   0.04   0.16     0.00  -0.02   0.01    -0.00   0.03   0.01
     6   6     0.02   0.03  -0.05    -0.06  -0.02   0.02     0.06   0.02  -0.02
     7   8    -0.04   0.02  -0.08     0.00  -0.01   0.03    -0.00   0.01  -0.04
     8   6     0.03   0.03   0.03     0.01  -0.07   0.01     0.02  -0.09  -0.04
     9   6     0.03  -0.05   0.01     0.14  -0.10  -0.05     0.00   0.01  -0.02
    10   6    -0.06  -0.07  -0.03    -0.13   0.11   0.05    -0.01  -0.06  -0.00
    11   6    -0.07  -0.03   0.00     0.00   0.03  -0.07    -0.00  -0.03   0.07
    12   1     0.04   0.14   0.04     0.05  -0.20  -0.01    -0.03  -0.12  -0.03
    13   1     0.02  -0.21  -0.05     0.27  -0.38  -0.04     0.01   0.19   0.05
    14   1    -0.27   0.29   0.12     0.03  -0.13  -0.03    -0.03   0.15   0.03
    15   1    -0.12   0.09   0.09    -0.33  -0.03   0.01     0.09  -0.01   0.00
    16   1     0.01  -0.21   0.08    -0.29   0.18  -0.00    -0.06  -0.09   0.02
    17   1    -0.05  -0.05  -0.22    -0.02  -0.10  -0.30     0.01  -0.11  -0.29
    18   1    -0.04  -0.05  -0.16     0.02  -0.08   0.19     0.04  -0.09   0.33
    19   1    -0.01  -0.03  -0.01     0.06  -0.08   0.18     0.08  -0.10   0.24
    20   1    -0.06   0.17  -0.13     0.04  -0.13   0.13     0.01  -0.13   0.23
    21   1    -0.04  -0.05  -0.04     0.05  -0.08   0.11     0.09  -0.26   0.27
    22   1    -0.01  -0.19   0.05     0.00   0.08  -0.00    -0.09   0.33  -0.07
    23   1    -0.11   0.07   0.00    -0.02   0.01  -0.03    -0.02  -0.04   0.01
    24   1     0.33  -0.39   0.01     0.09   0.11   0.05    -0.06  -0.22  -0.08
    25   1     0.09   0.02  -0.01     0.20   0.02  -0.04    -0.21  -0.01   0.03
    26   1    -0.19  -0.06   0.18    -0.13  -0.07   0.13     0.14   0.08  -0.13
    27   1    -0.03   0.00   0.08     0.21   0.07  -0.04    -0.24  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    967.8161               970.5744              1004.6074
 Red. masses --      1.7959                 1.6004                 1.4682
 Frc consts  --      0.9911                 0.8882                 0.8730
 IR Inten    --     22.8571                 4.1254                 0.7502
 RamAct Fr= 1--     19.7382                12.6699                15.1952
  Dep-P Fr= 1--      0.2261                 0.3850                 0.3031
  Dep-U Fr= 1--      0.3688                 0.5560                 0.4652
 Alpha2 Fr= 1--      0.2499                 0.0989                 0.1544
 Beta2  Fr= 1--      1.2134                 1.1740                 1.1781
 AlphaG Fr= 1--     -0.8900                 0.2790                 0.3250
 Gamma2 Fr= 1--     -6.9695                 2.2974                 5.5311
 Delta2 Fr= 1--     -3.3764                 0.8766                 1.1462
 Raman1 Fr= 1--      78.953                 50.679                 60.781
 ROA1   Fr= 1--    -777.121                248.601                567.661
 CID1   Fr= 1--      -9.843                  4.905                  9.339
 Raman2 Fr= 1--      14.560                 14.088                 14.137
 ROA2   Fr= 1--    -140.257                 48.124                123.576
 CID2   Fr= 1--      -9.633                  3.416                  8.742
 Raman3 Fr= 1--      29.120                 28.176                 28.273
 ROA3   Fr= 1--    -777.121                248.601                567.661
 CID3   Fr= 1--     -26.686                  8.823                 20.078
 RC180  Fr= 1--      -0.262                  0.112                 -0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.02  -0.08   0.04     0.08  -0.04   0.03
     2   6    -0.01   0.05   0.05     0.01  -0.04  -0.03     0.01  -0.08  -0.03
     3   6    -0.02  -0.10  -0.03     0.01   0.08   0.00    -0.03   0.03   0.05
     4   6    -0.03   0.03   0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.02
     5   6     0.01  -0.04   0.01    -0.02   0.02   0.00     0.01   0.01   0.02
     6   6     0.10   0.03  -0.04     0.04   0.02  -0.01     0.01   0.01  -0.01
     7   8    -0.01   0.02  -0.07    -0.00   0.01  -0.03    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.05     0.01   0.03   0.01    -0.09   0.01  -0.08
     9   6     0.01  -0.02   0.00     0.10  -0.02  -0.07     0.05   0.00   0.02
    10   6     0.02   0.09   0.01    -0.08   0.02   0.06    -0.02   0.04   0.00
    11   6    -0.01  -0.04   0.12     0.01  -0.02   0.06    -0.01  -0.00   0.01
    12   1     0.02   0.11   0.02    -0.09  -0.35  -0.02     0.08   0.26   0.06
    13   1     0.03  -0.31  -0.08     0.29   0.10   0.14     0.02  -0.11  -0.05
    14   1    -0.10  -0.31  -0.09    -0.03   0.06  -0.01    -0.06  -0.09   0.01
    15   1    -0.14  -0.01  -0.01    -0.13  -0.10  -0.01    -0.20   0.02   0.04
    16   1     0.12   0.16  -0.05    -0.26   0.13  -0.02     0.14   0.07  -0.02
    17   1    -0.07  -0.05  -0.18     0.10   0.15   0.41    -0.11   0.05   0.26
    18   1    -0.04  -0.06  -0.08     0.05   0.16  -0.05    -0.11  -0.02  -0.37
    19   1    -0.01  -0.01   0.13    -0.03   0.08  -0.34    -0.08   0.09   0.22
    20   1     0.03  -0.03  -0.05    -0.03   0.10  -0.13     0.14  -0.33   0.25
    21   1    -0.02   0.10  -0.10    -0.04   0.03  -0.09     0.08   0.25   0.02
    22   1     0.07  -0.20   0.06     0.01  -0.15   0.03     0.07   0.42  -0.15
    23   1    -0.13   0.04   0.02    -0.08  -0.04  -0.01    -0.01  -0.05  -0.03
    24   1    -0.18   0.24   0.11    -0.08  -0.19  -0.07     0.06  -0.12  -0.02
    25   1    -0.38  -0.06   0.08    -0.16  -0.01   0.02    -0.02  -0.00   0.01
    26   1     0.22   0.10  -0.22     0.13   0.08  -0.12    -0.00  -0.00   0.00
    27   1    -0.32  -0.12   0.03    -0.19  -0.06   0.03    -0.02  -0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1022.7939              1030.4061              1052.3867
 Red. masses --      1.5494                 1.4418                 1.6726
 Frc consts  --      0.9550                 0.9020                 1.0915
 IR Inten    --      6.6896                21.3076                 1.3480
 RamAct Fr= 1--      4.6521                 6.4016                 5.0452
  Dep-P Fr= 1--      0.2197                 0.7285                 0.6348
  Dep-U Fr= 1--      0.3603                 0.8429                 0.7766
 Alpha2 Fr= 1--      0.0599                 0.0024                 0.0105
 Beta2  Fr= 1--      0.2794                 0.8993                 0.6530
 AlphaG Fr= 1--     -0.4319                -0.1355                -0.3397
 Gamma2 Fr= 1--     -2.7350                -1.7617                -2.2532
 Delta2 Fr= 1--     -0.3818                -0.7260                -0.0906
 Raman1 Fr= 1--      18.609                 25.606                 20.181
 ROA1   Fr= 1--    -274.780               -192.358               -219.208
 CID1   Fr= 1--     -14.766                 -7.512                -10.862
 Raman2 Fr= 1--       3.352                 10.792                  7.836
 ROA2   Fr= 1--     -62.587                -36.474                -53.352
 CID2   Fr= 1--     -18.670                 -3.380                 -6.809
 Raman3 Fr= 1--       6.705                 21.584                 15.672
 ROA3   Fr= 1--    -274.780               -192.358               -219.208
 CID3   Fr= 1--     -40.984                 -8.912                -13.987
 RC180  Fr= 1--      -0.279                  0.686                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.04  -0.01     0.03   0.01   0.00     0.01  -0.00   0.00
     2   6     0.00   0.07  -0.02     0.00   0.02  -0.02     0.00   0.00  -0.01
     3   6     0.03   0.07  -0.04    -0.00   0.07   0.00    -0.01   0.03   0.01
     4   6     0.01   0.01   0.03     0.02  -0.09  -0.02     0.02  -0.09  -0.03
     5   6    -0.02   0.04  -0.01     0.00  -0.04  -0.02    -0.01   0.05   0.02
     6   6    -0.01  -0.03   0.00    -0.02   0.09   0.04     0.03  -0.16  -0.06
     7   8     0.01  -0.00   0.02     0.00  -0.02  -0.00    -0.01   0.03   0.01
     8   6    -0.05  -0.03   0.09    -0.02  -0.02   0.02    -0.01  -0.00   0.00
     9   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.03     0.00  -0.00  -0.01
    10   6    -0.00  -0.08   0.03    -0.01  -0.04   0.01    -0.01  -0.01   0.00
    11   6     0.00   0.02  -0.00     0.01  -0.08  -0.03    -0.02   0.11   0.04
    12   1    -0.18  -0.13  -0.01    -0.07  -0.08  -0.01    -0.01  -0.04  -0.01
    13   1     0.05   0.12   0.08     0.03   0.11   0.05     0.01   0.05   0.02
    14   1     0.12  -0.08  -0.08     0.02   0.00  -0.02    -0.01   0.00  -0.00
    15   1    -0.08  -0.17  -0.00     0.00  -0.05   0.00     0.03   0.00  -0.00
    16   1     0.08   0.00  -0.04     0.03  -0.02  -0.01     0.01  -0.01  -0.00
    17   1    -0.14  -0.05  -0.11    -0.05  -0.01  -0.01    -0.01  -0.00   0.01
    18   1    -0.10  -0.09  -0.21    -0.03  -0.03  -0.08     0.00  -0.00  -0.01
    19   1    -0.03   0.03   0.37    -0.02   0.02   0.13    -0.00   0.01   0.01
    20   1     0.12  -0.20  -0.05     0.06  -0.10   0.01     0.01  -0.03   0.01
    21   1    -0.03   0.29  -0.23     0.00   0.11  -0.07     0.00   0.02  -0.01
    22   1     0.19  -0.35   0.09     0.07  -0.07   0.02     0.01   0.00  -0.00
    23   1     0.06  -0.29  -0.08    -0.08   0.60   0.22    -0.08   0.59   0.22
    24   1    -0.01  -0.29  -0.13    -0.09   0.43   0.15    -0.04   0.20   0.07
    25   1    -0.03  -0.04   0.03     0.23   0.18  -0.16    -0.30  -0.25   0.23
    26   1     0.01  -0.04  -0.01    -0.04   0.16   0.07     0.04  -0.24  -0.08
    27   1     0.09   0.02  -0.06    -0.22  -0.03   0.21     0.34   0.05  -0.30
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1097.4212              1155.8150              1183.5416
 Red. masses --      1.8682                 1.9414                 1.9104
 Frc consts  --      1.3256                 1.5281                 1.5767
 IR Inten    --     15.7117                18.9303                40.4280
 RamAct Fr= 1--     91.0381                57.5782                47.3290
  Dep-P Fr= 1--      0.2527                 0.3832                 0.3708
  Dep-U Fr= 1--      0.4034                 0.5540                 0.5410
 Alpha2 Fr= 1--      1.0709                 0.4525                 0.3879
 Beta2  Fr= 1--      6.1212                 5.3168                 4.2677
 AlphaG Fr= 1--     -0.4099                 0.0818                 0.0185
 Gamma2 Fr= 1--     -3.6507                 0.2622                 6.2109
 Delta2 Fr= 1--      4.9506                 0.6932                 1.7372
 Raman1 Fr= 1--     364.152                230.313                189.316
 ROA1   Fr= 1--    -192.049                 47.351                651.840
 CID1   Fr= 1--      -0.527                  0.206                  3.443
 Raman2 Fr= 1--      73.454                 63.802                 51.212
 ROA2   Fr= 1--    -127.222                  0.746                135.164
 CID2   Fr= 1--      -1.732                  0.012                  2.639
 Raman3 Fr= 1--     146.908                127.604                102.424
 ROA3   Fr= 1--    -192.049                 47.351                651.840
 CID3   Fr= 1--      -1.307                  0.371                  6.364
 RC180  Fr= 1--      -0.193                  0.108                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.02   0.03  -0.03    -0.09   0.02   0.01
     2   6     0.02  -0.03   0.05     0.04  -0.04   0.06     0.20  -0.03  -0.03
     3   6     0.18   0.12  -0.04     0.14  -0.10   0.09    -0.02  -0.01   0.00
     4   6    -0.03  -0.01  -0.05    -0.09   0.04  -0.09     0.01   0.01   0.00
     5   6    -0.04   0.00  -0.00    -0.01  -0.03   0.04    -0.00   0.00  -0.01
     6   6    -0.03  -0.00   0.00    -0.06  -0.01  -0.01     0.08   0.01   0.00
     7   8     0.01   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.02
     8   6     0.02   0.02  -0.03    -0.05   0.02  -0.01    -0.09   0.01   0.02
     9   6    -0.05  -0.01   0.03    -0.04  -0.01  -0.04    -0.01  -0.08   0.02
    10   6    -0.01  -0.08   0.07     0.00   0.02   0.00    -0.08   0.04  -0.02
    11   6     0.03  -0.00   0.01     0.05  -0.00   0.03    -0.04   0.00  -0.02
    12   1    -0.05   0.44   0.11    -0.08  -0.27  -0.07     0.10  -0.02  -0.03
    13   1    -0.08  -0.24  -0.08     0.00   0.25   0.09    -0.12   0.32   0.06
    14   1     0.14  -0.02  -0.08     0.10   0.56   0.28    -0.15   0.00  -0.00
    15   1    -0.44  -0.30   0.05     0.13   0.03  -0.02     0.04   0.11  -0.01
    16   1     0.26   0.09  -0.07    -0.19  -0.03   0.05     0.39   0.07  -0.04
    17   1     0.06  -0.02  -0.11    -0.04  -0.04  -0.12     0.18  -0.01  -0.15
    18   1     0.05   0.01   0.17    -0.03  -0.07  -0.04     0.10   0.06   0.36
    19   1     0.04  -0.06  -0.15     0.02  -0.02   0.11     0.10  -0.13  -0.20
    20   1    -0.04   0.08   0.00     0.05  -0.10   0.04     0.11  -0.20  -0.01
    21   1     0.01  -0.07   0.06     0.01   0.20  -0.06     0.01   0.33  -0.14
    22   1    -0.06   0.11  -0.03     0.06   0.08  -0.03     0.19  -0.01  -0.01
    23   1    -0.32  -0.00  -0.04    -0.21   0.03  -0.09    -0.08  -0.04  -0.01
    24   1    -0.14  -0.05  -0.02     0.23   0.09   0.08    -0.23  -0.04  -0.03
    25   1    -0.05   0.01  -0.01    -0.10   0.02  -0.00     0.05  -0.03   0.02
    26   1     0.09   0.05  -0.08     0.17   0.07  -0.15    -0.13  -0.07   0.12
    27   1    -0.05  -0.02  -0.01    -0.07  -0.04  -0.04     0.04   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.3048              1217.0610              1232.2660
 Red. masses --      1.6011                 1.8362                 1.8176
 Frc consts  --      1.3276                 1.6025                 1.6262
 IR Inten    --     22.8343                 6.2425                29.9138
 RamAct Fr= 1--      6.8440                31.8439                 3.9139
  Dep-P Fr= 1--      0.5968                 0.3464                 0.6089
  Dep-U Fr= 1--      0.7475                 0.5146                 0.7569
 Alpha2 Fr= 1--      0.0195                 0.2828                 0.0102
 Beta2  Fr= 1--      0.8527                 2.7310                 0.4938
 AlphaG Fr= 1--      0.0163                -0.0746                -0.0023
 Gamma2 Fr= 1--     -5.1723                -5.8090                 0.6780
 Delta2 Fr= 1--     -1.3433                -4.3302                 0.3461
 Raman1 Fr= 1--      27.376                127.375                 15.656
 ROA1   Fr= 1--    -539.525               -696.232                 76.158
 CID1   Fr= 1--     -19.708                 -5.466                  4.865
 Raman2 Fr= 1--      10.232                 32.772                  5.925
 ROA2   Fr= 1--    -113.388               -104.774                 13.502
 CID2   Fr= 1--     -11.082                 -3.197                  2.279
 Raman3 Fr= 1--      20.464                 65.543                 11.850
 ROA3   Fr= 1--    -539.525               -696.232                 76.158
 CID3   Fr= 1--     -26.364                -10.622                  6.427
 RC180  Fr= 1--       0.495                  0.029                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.05   0.01   0.01     0.03   0.04  -0.02
     2   6     0.02   0.03  -0.08    -0.13  -0.02  -0.04    -0.07  -0.10   0.05
     3   6    -0.03   0.04   0.03     0.07  -0.01   0.07    -0.03  -0.02  -0.10
     4   6    -0.03  -0.01  -0.01    -0.06   0.01  -0.06     0.08  -0.00   0.08
     5   6     0.00  -0.01   0.04    -0.00   0.00  -0.01     0.02   0.00  -0.01
     6   6    -0.14  -0.02  -0.00     0.11   0.02  -0.00    -0.11  -0.02  -0.00
     7   8     0.01   0.02  -0.04    -0.01  -0.01   0.01     0.02   0.00  -0.00
     8   6     0.00  -0.01   0.03     0.06   0.02   0.02     0.03   0.03  -0.01
     9   6     0.02  -0.04   0.06     0.05  -0.05   0.07     0.06  -0.07  -0.02
    10   6    -0.05   0.00  -0.05    -0.03   0.03  -0.08    -0.03   0.04   0.03
    11   6     0.07  -0.00   0.04    -0.04  -0.00  -0.02     0.03   0.00   0.01
    12   1     0.15   0.05  -0.00     0.21  -0.13  -0.04     0.02   0.10   0.04
    13   1    -0.12   0.11  -0.02    -0.16   0.47   0.06     0.02   0.50   0.15
    14   1     0.34  -0.33  -0.05     0.30  -0.08   0.06    -0.49   0.23  -0.06
    15   1    -0.02   0.14   0.03    -0.31   0.15   0.07    -0.19  -0.04   0.01
    16   1     0.28  -0.05  -0.00     0.28  -0.10   0.02     0.29   0.17  -0.07
    17   1     0.07   0.02   0.05    -0.11  -0.01   0.03    -0.10  -0.04  -0.13
    18   1     0.04   0.05   0.11    -0.04  -0.06  -0.10    -0.04  -0.11  -0.01
    19   1     0.01  -0.02  -0.08    -0.03   0.04   0.18     0.01  -0.02   0.17
    20   1     0.02  -0.02  -0.05    -0.06   0.16  -0.08    -0.08   0.17  -0.06
    21   1    -0.02   0.00  -0.03    -0.05  -0.16  -0.01    -0.02  -0.04  -0.03
    22   1     0.04  -0.13   0.04    -0.10  -0.13   0.06    -0.10   0.04   0.00
    23   1     0.24   0.02  -0.02    -0.24  -0.01  -0.06     0.10  -0.01   0.08
    24   1     0.55   0.04   0.06    -0.17  -0.02  -0.02     0.00   0.02   0.01
    25   1    -0.09   0.06  -0.03     0.03  -0.05   0.03    -0.01   0.05  -0.03
    26   1     0.24   0.12  -0.22    -0.15  -0.08   0.14     0.13   0.06  -0.12
    27   1    -0.08  -0.05  -0.06     0.02   0.03   0.05     0.00  -0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1246.9559              1263.0307              1280.1866
 Red. masses --      1.6031                 1.4515                 1.8590
 Frc consts  --      1.4686                 1.3642                 1.7950
 IR Inten    --     13.5092                 4.4036                 6.8116
 RamAct Fr= 1--     43.4174                39.5932                10.5143
  Dep-P Fr= 1--      0.3209                 0.3495                 0.3877
  Dep-U Fr= 1--      0.4859                 0.5179                 0.5587
 Alpha2 Fr= 1--      0.4179                 0.3482                 0.0813
 Beta2  Fr= 1--      3.5162                 3.4178                 0.9791
 AlphaG Fr= 1--     -0.0727                 0.1666                 0.2205
 Gamma2 Fr= 1--     -1.8688                 2.1078                 5.2395
 Delta2 Fr= 1--     -3.8457                 2.6248                 2.4564
 Raman1 Fr= 1--     173.670                158.373                 42.057
 ROA1   Fr= 1--    -302.464                286.344                581.597
 CID1   Fr= 1--      -1.742                  1.808                 13.829
 Raman2 Fr= 1--      42.195                 41.013                 11.750
 ROA2   Fr= 1--     -14.085                 29.589                106.097
 CID2   Fr= 1--      -0.334                  0.721                  9.030
 Raman3 Fr= 1--      84.390                 82.027                 23.499
 ROA3   Fr= 1--    -302.464                286.344                581.597
 CID3   Fr= 1--      -3.584                  3.491                 24.750
 RC180  Fr= 1--      -0.028                  0.036                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.01  -0.00  -0.01     0.00  -0.06  -0.03
     2   6    -0.00   0.15   0.06    -0.04   0.00   0.04     0.01   0.16   0.13
     3   6     0.02  -0.04  -0.05     0.01  -0.02  -0.02     0.02   0.02   0.03
     4   6     0.02   0.01   0.02    -0.05   0.00  -0.01     0.02   0.01  -0.01
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     6   6    -0.03  -0.01  -0.00     0.06   0.01  -0.00    -0.03  -0.01   0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00   0.00
     8   6    -0.00  -0.05  -0.03     0.02  -0.00  -0.01    -0.01  -0.05  -0.05
     9   6     0.00   0.06   0.04     0.04  -0.02  -0.07    -0.01  -0.13  -0.05
    10   6    -0.08  -0.04  -0.02    -0.12  -0.02   0.08     0.02   0.02  -0.04
    11   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    12   1     0.09  -0.53  -0.12    -0.14   0.34   0.11    -0.12   0.25   0.07
    13   1    -0.05  -0.14  -0.07     0.16   0.01   0.05    -0.08   0.52   0.13
    14   1    -0.09   0.28   0.03     0.33   0.07   0.03    -0.08  -0.43  -0.10
    15   1    -0.09  -0.00   0.01     0.66   0.02  -0.11     0.11   0.05  -0.04
    16   1     0.58   0.01  -0.06     0.34   0.18  -0.08    -0.28  -0.13   0.08
    17   1     0.01   0.04   0.16    -0.04  -0.01  -0.00     0.02   0.03   0.10
    18   1     0.01   0.10  -0.16    -0.02  -0.01  -0.06     0.02   0.11  -0.13
    19   1    -0.08   0.09  -0.14    -0.01   0.02   0.02    -0.08   0.08  -0.15
    20   1     0.01  -0.10   0.17    -0.04   0.06   0.02    -0.02  -0.07   0.17
    21   1     0.07  -0.06   0.13     0.01  -0.05   0.04     0.10  -0.01   0.16
    22   1    -0.02   0.11  -0.04    -0.05   0.04  -0.01    -0.00   0.16  -0.06
    23   1    -0.04  -0.02   0.02     0.16   0.02  -0.01    -0.16  -0.05  -0.02
    24   1    -0.07   0.02  -0.00     0.11   0.02  -0.00    -0.15  -0.03  -0.00
    25   1    -0.00   0.01  -0.01    -0.00  -0.03   0.02     0.00   0.02  -0.01
    26   1     0.03   0.01  -0.03    -0.07  -0.03   0.06     0.03   0.02  -0.03
    27   1     0.01  -0.00  -0.02    -0.01   0.01   0.04     0.01  -0.01  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.3859              1316.9764              1338.6069
 Red. masses --      1.4622                 1.7636                 1.4606
 Frc consts  --      1.4456                 1.8023                 1.5420
 IR Inten    --     33.2296                15.7749                 0.0446
 RamAct Fr= 1--      9.6249                 4.2462                31.0895
  Dep-P Fr= 1--      0.3959                 0.3092                 0.3104
  Dep-U Fr= 1--      0.5672                 0.4723                 0.4738
 Alpha2 Fr= 1--      0.0724                 0.0424                 0.3090
 Beta2  Fr= 1--      0.9098                 0.3343                 2.4549
 AlphaG Fr= 1--      0.0817                -0.0736                 0.0907
 Gamma2 Fr= 1--     -2.3723                 1.0385                 0.2126
 Delta2 Fr= 1--     -2.9409                 0.9852                 0.6453
 Raman1 Fr= 1--      38.499                 16.985                124.358
 ROA1   Fr= 1--    -321.846                131.222                 41.056
 CID1   Fr= 1--      -8.360                  7.726                  0.330
 Raman2 Fr= 1--      10.918                  4.011                 29.459
 ROA2   Fr= 1--     -33.407                 17.042                 -0.060
 CID2   Fr= 1--      -3.060                  4.248                 -0.002
 Raman3 Fr= 1--      21.836                  8.023                 58.919
 ROA3   Fr= 1--    -321.846                131.222                 41.056
 CID3   Fr= 1--     -14.739                 16.356                  0.697
 RC180  Fr= 1--       0.134                 -0.055                 -0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.01   0.04  -0.03     0.00  -0.01   0.01
     2   6    -0.02  -0.06  -0.02     0.03  -0.11   0.18    -0.02   0.02  -0.04
     3   6     0.04   0.03   0.08     0.00   0.07  -0.03     0.04  -0.00   0.01
     4   6     0.06   0.01  -0.02    -0.04  -0.00  -0.01     0.02   0.05  -0.12
     5   6     0.05   0.01  -0.00    -0.04  -0.01   0.03    -0.01  -0.05   0.13
     6   6    -0.09  -0.01   0.00     0.05   0.01  -0.00    -0.04  -0.01  -0.00
     7   8     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01    -0.00   0.02  -0.05     0.00  -0.00   0.01
     9   6     0.01   0.06   0.00    -0.01   0.06  -0.01     0.00  -0.01   0.01
    10   6    -0.08  -0.01  -0.03    -0.00  -0.01  -0.03    -0.01  -0.00  -0.00
    11   6     0.02  -0.00   0.01    -0.00   0.00  -0.01     0.02   0.00   0.01
    12   1     0.00  -0.16  -0.03     0.01  -0.51  -0.13     0.00   0.07   0.02
    13   1     0.05  -0.18  -0.05     0.06   0.06   0.05    -0.03  -0.02  -0.02
    14   1    -0.25  -0.39  -0.06     0.12  -0.48  -0.17    -0.12   0.06   0.01
    15   1     0.49   0.18  -0.06    -0.06   0.06   0.02     0.03   0.02  -0.00
    16   1     0.09  -0.06   0.00     0.02  -0.04  -0.00     0.01  -0.00  -0.01
    17   1    -0.05  -0.02  -0.05    -0.03  -0.08  -0.24     0.02   0.01   0.03
    18   1    -0.02  -0.07   0.02    -0.08  -0.09  -0.08     0.00   0.04  -0.02
    19   1     0.02  -0.02   0.06     0.08  -0.06  -0.07    -0.01   0.01   0.02
    20   1     0.00   0.03  -0.04    -0.07   0.08   0.05     0.02  -0.02  -0.01
    21   1    -0.03  -0.01  -0.03     0.05   0.07   0.03    -0.02  -0.03  -0.02
    22   1    -0.01  -0.04   0.01    -0.05   0.18  -0.05    -0.00  -0.04   0.02
    23   1    -0.48  -0.10  -0.02     0.42   0.04  -0.03     0.66   0.16  -0.13
    24   1    -0.31  -0.07  -0.02     0.10  -0.02   0.02    -0.64  -0.15   0.11
    25   1     0.02   0.06  -0.04    -0.02  -0.04   0.02    -0.02   0.03  -0.02
    26   1     0.08   0.05  -0.09    -0.05  -0.02   0.05     0.03   0.01  -0.01
    27   1     0.03  -0.02  -0.06    -0.03   0.01   0.04    -0.01  -0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1381.8526              1398.8494              1406.0830
 Red. masses --      1.2815                 1.5329                 1.3440
 Frc consts  --      1.4418                 1.7673                 1.5656
 IR Inten    --     15.9120                65.5414                18.5826
 RamAct Fr= 1--      1.6651                13.3223                 2.1503
  Dep-P Fr= 1--      0.7499                 0.1973                 0.1377
  Dep-U Fr= 1--      0.8571                 0.3296                 0.2420
 Alpha2 Fr= 1--      0.0000                 0.1822                 0.0343
 Beta2  Fr= 1--      0.2379                 0.7318                 0.0867
 AlphaG Fr= 1--      0.0001                 0.0567                -0.0498
 Gamma2 Fr= 1--     -0.6575                 0.6377                 0.0744
 Delta2 Fr= 1--     -0.4803                 0.1174                 0.0130
 Raman1 Fr= 1--       6.660                 53.289                  8.601
 ROA1   Fr= 1--     -78.494                 64.976                  7.555
 CID1   Fr= 1--     -11.785                  1.219                  0.878
 Raman2 Fr= 1--       2.854                  8.781                  1.041
 ROA2   Fr= 1--     -11.939                 14.366                  1.681
 CID2   Fr= 1--      -4.183                  1.636                  1.615
 Raman3 Fr= 1--       5.709                 17.562                  2.082
 ROA3   Fr= 1--     -78.494                 64.976                  7.555
 CID3   Fr= 1--     -13.750                  3.700                  3.629
 RC180  Fr= 1--       0.714                 -0.341                 -0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.00   0.01   0.03     0.01   0.00   0.08
     2   6     0.01  -0.01   0.02     0.01  -0.02   0.03    -0.01   0.03  -0.05
     3   6    -0.06  -0.01  -0.01    -0.13  -0.02  -0.01     0.05   0.00   0.01
     4   6     0.00   0.00  -0.01     0.05   0.01  -0.02    -0.01  -0.00   0.01
     5   6     0.03   0.01   0.00     0.09   0.01   0.00    -0.03  -0.00  -0.00
     6   6     0.02   0.01  -0.01    -0.09  -0.02  -0.00     0.02   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.03   0.01     0.02  -0.11   0.06
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6     0.01   0.00   0.01     0.02   0.01   0.02    -0.01   0.00  -0.01
    11   6    -0.10  -0.04   0.08     0.07   0.02  -0.03    -0.02  -0.00   0.01
    12   1     0.02  -0.01  -0.02     0.05   0.00  -0.03    -0.01   0.05   0.02
    13   1     0.04   0.01   0.03     0.08   0.01   0.06    -0.04  -0.03  -0.04
    14   1     0.32   0.04   0.03     0.63   0.10   0.06    -0.25   0.00  -0.00
    15   1    -0.07  -0.02   0.02    -0.11  -0.03   0.03     0.05  -0.01  -0.03
    16   1     0.00   0.03  -0.01     0.00   0.06  -0.02     0.01  -0.05   0.03
    17   1     0.01  -0.02  -0.05     0.02  -0.08  -0.16    -0.01  -0.16  -0.23
    18   1    -0.03  -0.01  -0.03    -0.09  -0.02  -0.14    -0.13   0.04  -0.27
    19   1     0.03  -0.02  -0.05     0.07  -0.02  -0.17     0.04   0.07  -0.29
    20   1    -0.02   0.03  -0.00    -0.11   0.13  -0.06    -0.25   0.30  -0.24
    21   1     0.02   0.03   0.00     0.05   0.15  -0.06     0.07   0.35  -0.30
    22   1     0.00   0.03  -0.01    -0.01   0.15  -0.01    -0.07   0.42  -0.00
    23   1    -0.04   0.00  -0.01    -0.22  -0.02  -0.02     0.03   0.01   0.01
    24   1    -0.16  -0.02  -0.01    -0.36  -0.06  -0.01     0.12   0.02   0.00
    25   1     0.37   0.38  -0.17    -0.20  -0.14   0.05     0.04   0.02  -0.01
    26   1     0.20   0.16  -0.36    -0.06  -0.06   0.15     0.01   0.01  -0.03
    27   1     0.45  -0.07  -0.32    -0.22   0.01   0.10     0.05  -0.00  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.5777              1464.8602              1474.3214
 Red. masses --      1.2288                 1.0592                 1.0480
 Frc consts  --      1.4652                 1.3391                 1.3421
 IR Inten    --      3.5633                15.0211                 9.1616
 RamAct Fr= 1--      2.5013                 9.4680                 5.9385
  Dep-P Fr= 1--      0.5904                 0.3500                 0.7486
  Dep-U Fr= 1--      0.7425                 0.5185                 0.8563
 Alpha2 Fr= 1--      0.0074                 0.0831                 0.0001
 Beta2  Fr= 1--      0.3095                 0.8182                 0.8475
 AlphaG Fr= 1--     -0.0079                 0.0246                 0.0025
 Gamma2 Fr= 1--     -0.1064                 0.4820                 0.0560
 Delta2 Fr= 1--      0.0141                 0.1660                 0.1110
 Raman1 Fr= 1--      10.005                 37.872                 23.754
 ROA1   Fr= 1--      -9.760                 51.587                  8.928
 CID1   Fr= 1--      -0.975                  1.362                  0.376
 Raman2 Fr= 1--       3.714                  9.818                 10.170
 ROA2   Fr= 1--      -2.665                 10.241                  0.456
 CID2   Fr= 1--      -0.718                  1.043                  0.045
 Raman3 Fr= 1--       7.429                 19.637                 20.340
 ROA3   Fr= 1--      -9.760                 51.587                  8.928
 CID3   Fr= 1--      -1.314                  2.627                  0.439
 RC180  Fr= 1--       0.485                  0.037                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.11    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.02     0.00  -0.02  -0.01
     7   8     0.00  -0.00   0.00     0.00   0.01  -0.02    -0.00   0.00   0.00
     8   6     0.02  -0.07   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.05   0.00  -0.03     0.01  -0.05  -0.02
    12   1     0.06  -0.04  -0.04     0.01   0.00  -0.00     0.00   0.00  -0.00
    13   1     0.05  -0.03   0.04     0.01  -0.00   0.01     0.00   0.00   0.00
    14   1     0.07  -0.04  -0.00     0.02   0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.03   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.03  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.01   0.23   0.38     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.23   0.02   0.40    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.14  -0.04   0.45     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.21   0.24  -0.12    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.09   0.28  -0.17     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.04   0.30  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.01  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01   0.00    -0.05  -0.01   0.01     0.00  -0.01  -0.00
    25   1    -0.00   0.00  -0.00     0.28  -0.45   0.33    -0.47   0.02  -0.11
    26   1     0.00  -0.00   0.00     0.21   0.17  -0.37    -0.12   0.68   0.24
    27   1    -0.00  -0.00  -0.00     0.17   0.21   0.57     0.45   0.09   0.15
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.3164              1486.5986              1492.6731
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3867                 1.3620                 1.3982
 IR Inten    --      1.0288                 0.3068                 8.2866
 RamAct Fr= 1--      8.6257                 9.1145                11.9171
  Dep-P Fr= 1--      0.6624                 0.7129                 0.6912
  Dep-U Fr= 1--      0.7970                 0.8324                 0.8174
 Alpha2 Fr= 1--      0.0135                 0.0058                 0.0123
 Beta2  Fr= 1--      1.1457                 1.2645                 1.6235
 AlphaG Fr= 1--      0.0108                 0.0093                -0.0514
 Gamma2 Fr= 1--      1.9914                -2.1949                -1.7141
 Delta2 Fr= 1--      0.2340                -0.9597                 0.6986
 Raman1 Fr= 1--      34.503                 36.458                 47.668
 ROA1   Fr= 1--     198.661               -241.425               -142.200
 CID1   Fr= 1--       5.758                 -6.622                 -2.983
 Raman2 Fr= 1--      13.749                 15.174                 19.481
 ROA2   Fr= 1--      45.921                -45.001                -46.728
 CID2   Fr= 1--       3.340                 -2.966                 -2.399
 Raman3 Fr= 1--      27.497                 30.348                 38.963
 ROA3   Fr= 1--     198.661               -241.425               -142.200
 CID3   Fr= 1--       7.225                 -7.955                 -3.650
 RC180  Fr= 1--       0.594                  0.665                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.04  -0.00  -0.00     0.00  -0.02  -0.00
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.00   0.03
     3   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.02   0.02    -0.04  -0.00   0.01     0.01   0.01   0.03
     9   6    -0.05   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00  -0.00
    10   6    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.01  -0.04   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1     0.36   0.08  -0.21     0.08   0.01  -0.04    -0.17  -0.07   0.09
    13   1     0.30  -0.03   0.29     0.06  -0.01   0.06    -0.14   0.04  -0.12
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.01     0.04  -0.02  -0.00
    15   1     0.03  -0.30  -0.21    -0.01  -0.08  -0.05    -0.03   0.30   0.21
    16   1     0.08  -0.26   0.22     0.03  -0.06   0.06    -0.09   0.26  -0.23
    17   1     0.15  -0.06  -0.14    -0.41  -0.08   0.01    -0.01  -0.07  -0.12
    18   1     0.11   0.28  -0.05     0.05  -0.14   0.20     0.11   0.18   0.03
    19   1    -0.13   0.10   0.13    -0.13   0.24  -0.17    -0.15   0.16   0.04
    20   1     0.17  -0.15  -0.10     0.03   0.04  -0.43     0.26  -0.22  -0.29
    21   1    -0.18  -0.18  -0.20     0.06  -0.12   0.31    -0.27  -0.28  -0.26
    22   1    -0.13   0.15   0.01     0.54   0.13  -0.08    -0.08   0.31  -0.00
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00    -0.01  -0.01   0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.00
    25   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.6894              1506.1397              1509.9659
 Red. masses --      1.1098                 1.0614                 1.0623
 Frc consts  --      1.4765                 1.4186                 1.4270
 IR Inten    --      3.0385                 7.3991                 5.0762
 RamAct Fr= 1--     11.4251                 4.6144                 2.5695
  Dep-P Fr= 1--      0.4295                 0.7493                 0.5449
  Dep-U Fr= 1--      0.6009                 0.8567                 0.7055
 Alpha2 Fr= 1--      0.0759                 0.0001                 0.0101
 Beta2  Fr= 1--      1.1442                 0.6589                 0.3021
 AlphaG Fr= 1--     -0.0057                -0.0010                 0.0025
 Gamma2 Fr= 1--     -0.4433                 0.6865                 0.0039
 Delta2 Fr= 1--     -0.5599                -1.1648                 0.2535
 Raman1 Fr= 1--      45.700                 18.458                 10.278
 ROA1   Fr= 1--     -60.470                 28.634                  8.483
 CID1   Fr= 1--      -1.323                  1.551                  0.825
 Raman2 Fr= 1--      13.731                  7.906                  3.625
 ROA2   Fr= 1--      -6.159                 25.795                 -1.935
 CID2   Fr= 1--      -0.449                  3.263                 -0.534
 Raman3 Fr= 1--      27.461                 15.813                  7.251
 ROA3   Fr= 1--     -60.470                 28.634                  8.483
 CID3   Fr= 1--      -2.202                  1.811                  1.170
 RC180  Fr= 1--       0.202                  0.713                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00    -0.00  -0.03   0.02    -0.04  -0.00  -0.00
     2   6    -0.02   0.04   0.00    -0.01  -0.03  -0.01    -0.03  -0.01   0.01
     3   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.02  -0.00   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.00    -0.00   0.02   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.37   0.11  -0.21     0.13   0.03  -0.07    -0.19  -0.06   0.11
    13   1     0.29  -0.03   0.30     0.11  -0.02   0.10    -0.15   0.03  -0.16
    14   1    -0.08   0.00  -0.00    -0.04   0.01  -0.00     0.01   0.00   0.00
    15   1    -0.01   0.30   0.20    -0.01   0.23   0.15     0.01  -0.12  -0.08
    16   1    -0.07   0.24  -0.23    -0.06   0.19  -0.17     0.04  -0.10   0.09
    17   1     0.15   0.12   0.15     0.15  -0.15  -0.30     0.50   0.10  -0.02
    18   1    -0.18  -0.21  -0.15     0.18   0.46  -0.06    -0.05   0.20  -0.25
    19   1     0.26  -0.30  -0.04    -0.25   0.24   0.16     0.13  -0.28   0.26
    20   1     0.05  -0.03  -0.15    -0.17   0.16   0.12     0.01   0.04  -0.33
    21   1    -0.03  -0.09   0.05     0.19   0.16   0.26     0.03  -0.10   0.21
    22   1     0.13   0.08  -0.02     0.17  -0.22  -0.01     0.37   0.12  -0.06
    23   1     0.00   0.00   0.01    -0.01  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1673.1414              1762.0774              3017.6675
 Red. masses --      6.5805                 8.5244                 1.0347
 Frc consts  --     10.8537                15.5942                 5.5513
 IR Inten    --    238.3854               113.5633                24.8922
 RamAct Fr= 1--    891.9717                24.9603               104.7493
  Dep-P Fr= 1--      0.2765                 0.7234                 0.0397
  Dep-U Fr= 1--      0.4332                 0.8395                 0.0763
 Alpha2 Fr= 1--      9.8041                 0.0114                 2.1204
 Beta2  Fr= 1--     64.3980                 3.4925                 1.3329
 AlphaG Fr= 1--     -2.0657                -0.0603                -0.3183
 Gamma2 Fr= 1--    -22.1794                 0.5650                -0.7342
 Delta2 Fr= 1--      4.9145                 0.0962                -1.6586
 Raman1 Fr= 1--    3567.887                 99.841                418.997
 ROA1   Fr= 1--   -1971.964                 57.320               -123.561
 CID1   Fr= 1--      -0.553                  0.574                 -0.295
 Raman2 Fr= 1--     772.777                 41.910                 15.995
 ROA2   Fr= 1--    -571.622                 12.790                 -4.353
 CID2   Fr= 1--      -0.740                  0.305                 -0.272
 Raman3 Fr= 1--    1545.553                 83.820                 31.990
 ROA3   Fr= 1--   -1971.964                 57.320               -123.561
 CID3   Fr= 1--      -1.276                  0.684                 -3.862
 RC180  Fr= 1--      -0.134                  0.679                 -0.847
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.02   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.01     0.04   0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.43   0.12  -0.12    -0.21  -0.06   0.07    -0.00   0.00   0.00
     5   6    -0.40  -0.11   0.10     0.21   0.07  -0.11    -0.00  -0.00   0.00
     6   6     0.09  -0.07   0.24     0.02  -0.20   0.57     0.00  -0.00   0.00
     7   8    -0.03   0.05  -0.16    -0.03   0.12  -0.36    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.01
     9   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.01  -0.04    -0.00  -0.00  -0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.01   0.01   0.00     0.00  -0.00   0.01    -0.02  -0.01   0.02
    14   1     0.23   0.04   0.01    -0.10  -0.01  -0.02     0.00   0.01  -0.05
    15   1     0.01   0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.04   0.04  -0.03    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.02  -0.09   0.04
    18   1    -0.01   0.00  -0.03     0.00  -0.00   0.00    -0.11   0.05   0.05
    19   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.09   0.08   0.02
    20   1     0.01   0.00  -0.01    -0.00   0.00   0.00    -0.45  -0.36  -0.09
    21   1    -0.01  -0.03   0.01     0.00   0.00   0.00     0.49  -0.23  -0.23
    22   1    -0.00   0.02  -0.00     0.00  -0.00  -0.00     0.06   0.07   0.50
    23   1    -0.49  -0.03  -0.13     0.24   0.00   0.10    -0.00  -0.00  -0.00
    24   1     0.34  -0.00   0.17    -0.39  -0.01  -0.15     0.00   0.00  -0.00
    25   1     0.03   0.08  -0.05     0.04   0.13  -0.10    -0.00   0.00   0.00
    26   1    -0.06  -0.04   0.09    -0.13  -0.09   0.18     0.00  -0.00   0.00
    27   1     0.04  -0.02  -0.09     0.07  -0.02  -0.16    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.5202              3029.5725              3045.8029
 Red. masses --      1.0355                 1.0378                 1.0808
 Frc consts  --      5.5959                 5.6123                 5.9072
 IR Inten    --     24.5093                 3.0158                12.6816
 RamAct Fr= 1--    180.3364               224.8383                38.9260
  Dep-P Fr= 1--      0.0325                 0.0214                 0.3755
  Dep-U Fr= 1--      0.0629                 0.0419                 0.5460
 Alpha2 Fr= 1--      3.7134                 4.7524                 0.3140
 Beta2  Fr= 1--      1.8906                 1.5688                 3.5424
 AlphaG Fr= 1--     -0.4544                 0.5555                -0.0872
 Gamma2 Fr= 1--      2.5693                 0.6397                -4.0548
 Delta2 Fr= 1--      0.4013                -1.5699                -6.9096
 Raman1 Fr= 1--     721.346                899.353                155.704
 ROA1   Fr= 1--     259.491                 11.173               -610.370
 CID1   Fr= 1--       0.360                  0.012                 -3.920
 Raman2 Fr= 1--      22.687                 18.826                 42.509
 ROA2   Fr= 1--      58.452                 27.911                -42.039
 CID2   Fr= 1--       2.576                  1.483                 -0.989
 Raman3 Fr= 1--      45.374                 37.651                 85.017
 ROA3   Fr= 1--     259.491                 11.173               -610.370
 CID3   Fr= 1--       5.719                  0.297                 -7.179
 RC180  Fr= 1--      -0.874                 -0.916                  0.092
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.05    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.02  -0.07
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.02   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00   0.00  -0.00    -0.02  -0.02   0.04    -0.00   0.00  -0.00
    12   1    -0.03   0.01  -0.05    -0.00   0.00  -0.00    -0.11   0.04  -0.22
    13   1    -0.04  -0.01   0.05    -0.00  -0.00   0.00    -0.15  -0.06   0.17
    14   1     0.00   0.02  -0.07     0.00   0.00  -0.00    -0.05  -0.25   0.88
    15   1     0.01  -0.02   0.04     0.00  -0.00   0.00    -0.04   0.08  -0.13
    16   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.09   0.44  -0.22    -0.00   0.01  -0.00    -0.01   0.02  -0.01
    18   1     0.51  -0.24  -0.23     0.01  -0.00  -0.00     0.02  -0.01  -0.01
    19   1    -0.43  -0.35  -0.11    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    20   1    -0.09  -0.07  -0.02    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    21   1     0.09  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.03  -0.02
    22   1     0.01   0.01   0.11     0.00   0.00   0.00    -0.00  -0.00  -0.02
    23   1     0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00   0.01  -0.02
    25   1    -0.00   0.00   0.01     0.07  -0.37  -0.53    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.30  -0.02   0.21     0.00  -0.00   0.00
    27   1     0.00  -0.01   0.00    -0.11   0.62  -0.19     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.9667              3062.7875              3076.3744
 Red. masses --      1.0613                 1.0600                 1.1012
 Frc consts  --      5.8242                 5.8585                 6.1406
 IR Inten    --     47.2877                27.8421                15.1872
 RamAct Fr= 1--    228.1574               158.8617                61.2697
  Dep-P Fr= 1--      0.0824                 0.0692                 0.6549
  Dep-U Fr= 1--      0.1522                 0.1295                 0.7915
 Alpha2 Fr= 1--      4.1697                 2.9968                 0.1043
 Beta2  Fr= 1--      5.7886                 3.4294                 8.0823
 AlphaG Fr= 1--     -0.0955                 0.0965                -0.0000
 Gamma2 Fr= 1--      3.0409                 5.2389                 6.3338
 Delta2 Fr= 1--      1.3892                -9.0403                 2.9511
 Raman1 Fr= 1--     912.630                635.447                245.079
 ROA1   Fr= 1--     336.379                213.647                702.481
 CID1   Fr= 1--       0.369                  0.336                  2.866
 Raman2 Fr= 1--      69.464                 41.153                 96.988
 ROA2   Fr= 1--      61.868                198.056                128.403
 CID2   Fr= 1--       0.891                  4.813                  1.324
 Raman3 Fr= 1--     138.927                 82.306                193.976
 ROA3   Fr= 1--     336.379                213.647                702.481
 CID3   Fr= 1--       2.421                  2.596                  3.621
 RC180  Fr= 1--      -0.696                 -0.741                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.00  -0.01  -0.00     0.02  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.09  -0.01   0.02
     9   6    -0.06  -0.00  -0.02     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00   0.01   0.01    -0.01   0.06  -0.02     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1     0.33  -0.12   0.61    -0.08   0.03  -0.15    -0.00   0.00  -0.01
    13   1     0.38   0.15  -0.43     0.00   0.00   0.00     0.02   0.01  -0.02
    14   1    -0.02  -0.09   0.31    -0.00  -0.02   0.07     0.00   0.01  -0.03
    15   1     0.00  -0.01   0.02     0.17  -0.38   0.66    -0.00   0.01  -0.01
    16   1    -0.00  -0.10  -0.12    -0.01  -0.35  -0.47     0.00   0.02   0.02
    17   1    -0.01   0.04  -0.02    -0.01   0.03  -0.02    -0.00   0.03  -0.02
    18   1     0.04  -0.02  -0.02    -0.06   0.02   0.03    -0.13   0.06   0.06
    19   1    -0.05  -0.04  -0.01     0.03   0.02   0.01    -0.11  -0.09  -0.03
    20   1    -0.05  -0.05  -0.01     0.01   0.01   0.00     0.50   0.43   0.11
    21   1     0.06  -0.03  -0.03     0.01  -0.00  -0.00     0.58  -0.29  -0.27
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.03  -0.01  -0.05
    23   1    -0.00   0.01  -0.02     0.00   0.01  -0.02     0.00  -0.00   0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3391              3085.2505              3087.8658
 Red. masses --      1.0984                 1.1017                 1.1013
 Frc consts  --      6.1447                 6.1789                 6.1872
 IR Inten    --      8.8081                23.9431                39.8047
 RamAct Fr= 1--     65.3627                52.3792               100.2239
  Dep-P Fr= 1--      0.7489                 0.6996                 0.7383
  Dep-U Fr= 1--      0.8564                 0.8233                 0.8495
 Alpha2 Fr= 1--      0.0012                 0.0460                 0.0199
 Beta2  Fr= 1--      9.3295                 7.1869                14.1897
 AlphaG Fr= 1--     -0.0173                -0.2593                 0.0180
 Gamma2 Fr= 1--      3.1985                15.9972                15.5414
 Delta2 Fr= 1--      3.9825                13.9258                 6.1303
 Raman1 Fr= 1--     261.451                209.517                400.896
 ROA1   Fr= 1--     434.495               1981.355               1688.145
 CID1   Fr= 1--       1.662                  9.457                  4.211
 Raman2 Fr= 1--     111.955                 86.243                170.276
 ROA2   Fr= 1--      44.903                272.526                323.951
 CID2   Fr= 1--       0.401                  3.160                  1.903
 Raman3 Fr= 1--     223.909                172.485                340.553
 ROA3   Fr= 1--     434.495               1981.355               1688.145
 CID3   Fr= 1--       1.940                 11.487                  4.957
 RC180  Fr= 1--       0.713                  0.647                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.09   0.01   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.04  -0.08    -0.02  -0.00   0.01
     9   6     0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.00  -0.01
    10   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    11   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.00   0.00    -0.05   0.02  -0.08     0.04  -0.01   0.06
    13   1    -0.00  -0.00   0.00     0.11   0.04  -0.12    -0.06  -0.02   0.06
    14   1     0.00   0.00  -0.00    -0.01  -0.02   0.07     0.00   0.00  -0.01
    15   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.05  -0.07
    17   1     0.00  -0.00   0.00     0.02  -0.08   0.04     0.03  -0.24   0.12
    18   1    -0.00   0.00   0.00     0.04  -0.02  -0.02     0.61  -0.29  -0.29
    19   1    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01     0.41   0.36   0.12
    20   1     0.00   0.00   0.00     0.30   0.25   0.04     0.11   0.09   0.02
    21   1     0.00  -0.00  -0.00    -0.26   0.12   0.10     0.14  -0.07  -0.06
    22   1    -0.00  -0.00  -0.01     0.11   0.09   0.82    -0.01  -0.00  -0.03
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00   0.01  -0.03
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.07   0.38   0.59    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1    -0.11   0.66  -0.22    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3094.3239              3095.4856              3114.5789
 Red. masses --      1.1064                 1.1019                 1.1077
 Frc consts  --      6.2413                 6.2208                 6.3310
 IR Inten    --     13.6079                39.4218                46.6982
 RamAct Fr= 1--    130.2195                33.3658               100.4848
  Dep-P Fr= 1--      0.5960                 0.3993                 0.5835
  Dep-U Fr= 1--      0.7469                 0.5707                 0.7370
 Alpha2 Fr= 1--      0.3723                 0.2478                 0.3130
 Beta2  Fr= 1--     16.2096                 3.1737                12.3430
 AlphaG Fr= 1--      0.0574                 0.6076                 0.1034
 Gamma2 Fr= 1--    -42.9732                26.4279                -4.7598
 Delta2 Fr= 1--    -25.3391                23.7686               -10.2832
 Raman1 Fr= 1--     520.878                133.463                401.939
 ROA1   Fr= 1--   -4936.280               3297.670               -786.004
 CID1   Fr= 1--      -9.477                 24.708                 -1.956
 Raman2 Fr= 1--     194.515                 38.084                148.117
 ROA2   Fr= 1--    -828.644                444.120                -31.969
 CID2   Fr= 1--      -4.260                 11.661                 -0.216
 Raman3 Fr= 1--     389.030                 76.169                296.233
 ROA3   Fr= 1--   -4936.280               3297.670               -786.004
 CID3   Fr= 1--     -12.689                 43.294                 -2.653
 RC180  Fr= 1--       0.494                  0.141                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.01    -0.02  -0.08   0.01     0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.02  -0.07    -0.01  -0.01   0.03     0.00   0.01  -0.04
    10   6     0.00   0.01   0.03    -0.00  -0.01  -0.02    -0.01  -0.01  -0.08
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.24  -0.08   0.42    -0.09   0.03  -0.16     0.16  -0.05   0.28
    13   1    -0.41  -0.16   0.44     0.18   0.07  -0.20    -0.19  -0.07   0.20
    14   1     0.00   0.01  -0.04    -0.00  -0.01   0.04    -0.01  -0.03   0.11
    15   1    -0.03   0.08  -0.12     0.02  -0.05   0.07     0.13  -0.30   0.47
    16   1    -0.00  -0.20  -0.25     0.00   0.17   0.22     0.00   0.42   0.52
    17   1    -0.07   0.32  -0.17    -0.13   0.62  -0.32     0.02  -0.09   0.05
    18   1    -0.13   0.05   0.07    -0.06   0.01   0.03     0.02  -0.00  -0.01
    19   1     0.14   0.10   0.04     0.41   0.32   0.11    -0.04  -0.03  -0.01
    20   1     0.07   0.06   0.01     0.02   0.02   0.00     0.01   0.01   0.00
    21   1    -0.05   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.00   0.00
    22   1     0.02   0.02   0.18     0.00   0.00   0.01     0.01   0.00   0.06
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3143.8407              3145.4835              3150.5968
 Red. masses --      1.0910                 1.1000                 1.0863
 Frc consts  --      6.3533                 6.4126                 6.3529
 IR Inten    --      0.4467                13.4028                15.0975
 RamAct Fr= 1--     92.2403                91.0736                 8.5671
  Dep-P Fr= 1--      0.1642                 0.6918                 0.6917
  Dep-U Fr= 1--      0.2821                 0.8178                 0.8178
 Alpha2 Fr= 1--      1.3751                 0.0929                 0.0087
 Beta2  Fr= 1--      4.3376                12.4136                 1.1677
 AlphaG Fr= 1--      0.2016                -0.0939                 0.0415
 Gamma2 Fr= 1--     -6.2263                -0.9471                 2.4115
 Delta2 Fr= 1--     -4.8482                -1.7318                 1.0699
 Raman1 Fr= 1--     368.961                364.294                 34.268
 ROA1   Fr= 1--    -752.864               -146.336                265.737
 CID1   Fr= 1--      -2.040                 -0.402                  7.755
 Raman2 Fr= 1--      52.051                148.963                 14.012
 ROA2   Fr= 1--    -110.645                 -8.875                 49.316
 CID2   Fr= 1--      -2.126                 -0.060                  3.520
 Raman3 Fr= 1--     104.102                297.926                 28.024
 ROA3   Fr= 1--    -752.864               -146.336                265.737
 CID3   Fr= 1--      -7.232                 -0.491                  9.482
 RC180  Fr= 1--      -0.436                  0.636                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.02  -0.06     0.00  -0.01   0.02    -0.01   0.02  -0.05
     5   6    -0.00  -0.02   0.05     0.00   0.00  -0.00    -0.00   0.02  -0.06
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.02   0.00  -0.01    -0.06   0.01  -0.06    -0.01   0.00  -0.01
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    14   1    -0.00  -0.01   0.03     0.00   0.01  -0.02     0.00  -0.02   0.06
    15   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.00  -0.01   0.02
    16   1     0.00   0.01   0.01    -0.00  -0.00  -0.01     0.00   0.01   0.01
    17   1     0.01  -0.03   0.01    -0.00   0.01  -0.01     0.01  -0.03   0.01
    18   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    23   1     0.04  -0.23   0.66    -0.02   0.09  -0.26     0.04  -0.21   0.61
    24   1    -0.01   0.22  -0.62     0.00  -0.02   0.05     0.01  -0.25   0.70
    25   1    -0.01   0.03   0.04    -0.04   0.14   0.19    -0.01   0.03   0.04
    26   1     0.19  -0.01   0.12     0.74  -0.04   0.49     0.11  -0.01   0.07
    27   1     0.01  -0.05   0.01     0.03  -0.23   0.06     0.01  -0.04   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   821.588273645.118703714.03991
           X            0.99986   0.00243  -0.01626
           Y           -0.00317   0.99895  -0.04580
           Z            0.01613   0.04585   0.99882
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10542     0.02376     0.02332
 Rotational constants (GHZ):           2.19665     0.49511     0.48592
 Zero-point vibrational energy     621694.5 (Joules/Mol)
                                  148.58856 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     46.20    91.33   113.17   166.20   192.95
          (Kelvin)            225.55   318.18   353.10   378.33   412.30
                              459.17   495.94   525.96   593.22   635.60
                              739.71   842.68   856.05   907.38  1049.83
                             1152.05  1228.23  1267.39  1301.71  1317.58
                             1367.47  1379.71  1392.47  1396.44  1445.41
                             1471.57  1482.52  1514.15  1578.94  1662.96
                             1702.85  1706.83  1751.08  1772.96  1794.09
                             1817.22  1841.90  1863.77  1894.84  1925.96
                             1988.18  2012.63  2023.04  2046.77  2107.61
                             2121.22  2134.16  2138.88  2147.62  2162.03
                             2167.00  2172.50  2407.28  2535.24  4341.75
                             4357.37  4358.88  4382.23  4391.10  4406.67
                             4426.22  4433.36  4438.99  4442.75  4452.04
                             4453.71  4481.18  4523.29  4525.65  4533.01
 
 Zero-point correction=                           0.236791 (Hartree/Particle)
 Thermal correction to Energy=                    0.249346
 Thermal correction to Enthalpy=                  0.250290
 Thermal correction to Gibbs Free Energy=         0.197559
 Sum of electronic and zero-point Energies=           -465.874862
 Sum of electronic and thermal Energies=              -465.862307
 Sum of electronic and thermal Enthalpies=            -465.861363
 Sum of electronic and thermal Free Energies=         -465.914094
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.467             46.457            110.982
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.787
 Vibrational            154.689             40.495             39.227
 Vibration     1          0.594              1.983              5.694
 Vibration     2          0.597              1.972              4.346
 Vibration     3          0.600              1.964              3.924
 Vibration     4          0.608              1.937              3.174
 Vibration     5          0.613              1.919              2.886
 Vibration     6          0.620              1.895              2.588
 Vibration     7          0.648              1.809              1.950
 Vibration     8          0.660              1.770              1.763
 Vibration     9          0.670              1.741              1.642
 Vibration    10          0.684              1.699              1.494
 Vibration    11          0.705              1.637              1.315
 Vibration    12          0.723              1.586              1.190
 Vibration    13          0.739              1.543              1.098
 Vibration    14          0.776              1.444              0.918
 Vibration    15          0.802              1.379              0.821
 Vibration    16          0.869              1.219              0.624
 Vibration    17          0.943              1.062              0.475
 Vibration    18          0.953              1.042              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.134727D-90        -90.870544       -209.237160
 Total V=0       0.111078D+19         18.045629         41.551596
 Vib (Bot)       0.153028-104       -104.815230       -241.345986
 Vib (Bot)    1  0.644648D+01          0.809323          1.863535
 Vib (Bot)    2  0.325172D+01          0.512113          1.179185
 Vib (Bot)    3  0.261872D+01          0.418089          0.962685
 Vib (Bot)    4  0.177089D+01          0.248191          0.571482
 Vib (Bot)    5  0.151855D+01          0.181428          0.417753
 Vib (Bot)    6  0.129086D+01          0.110880          0.255311
 Vib (Bot)    7  0.894019D+00         -0.048653         -0.112028
 Vib (Bot)    8  0.796983D+00         -0.098551         -0.226921
 Vib (Bot)    9  0.737573D+00         -0.132195         -0.304390
 Vib (Bot)   10  0.668573D+00         -0.174851         -0.402610
 Vib (Bot)   11  0.589331D+00         -0.229641         -0.528768
 Vib (Bot)   12  0.537080D+00         -0.269961         -0.621607
 Vib (Bot)   13  0.499530D+00         -0.301439         -0.694088
 Vib (Bot)   14  0.428356D+00         -0.368195         -0.847801
 Vib (Bot)   15  0.390773D+00         -0.408075         -0.939628
 Vib (Bot)   16  0.315645D+00         -0.500801         -1.153136
 Vib (Bot)   17  0.258691D+00         -0.587219         -1.352122
 Vib (Bot)   18  0.252257D+00         -0.598157         -1.377308
 Vib (V=0)       0.126166D+05          4.100943          9.442771
 Vib (V=0)    1  0.696585D+01          0.842974          1.941019
 Vib (V=0)    2  0.378994D+01          0.578632          1.332350
 Vib (V=0)    3  0.316602D+01          0.500514          1.152476
 Vib (V=0)    4  0.234012D+01          0.369239          0.850203
 Vib (V=0)    5  0.209874D+01          0.321959          0.741339
 Vib (V=0)    6  0.188431D+01          0.275153          0.633564
 Vib (V=0)    7  0.152434D+01          0.183082          0.421561
 Vib (V=0)    8  0.144084D+01          0.158616          0.365227
 Vib (V=0)    9  0.139107D+01          0.143350          0.330077
 Vib (V=0)   10  0.133486D+01          0.125435          0.288826
 Vib (V=0)   11  0.127286D+01          0.104780          0.241265
 Vib (V=0)   12  0.123380D+01          0.091243          0.210095
 Vib (V=0)   13  0.120677D+01          0.081626          0.187951
 Vib (V=0)   14  0.115840D+01          0.063858          0.147039
 Vib (V=0)   15  0.113459D+01          0.054839          0.126271
 Vib (V=0)   16  0.109130D+01          0.037943          0.087367
 Vib (V=0)   17  0.106296D+01          0.026516          0.061055
 Vib (V=0)   18  0.106003D+01          0.025318          0.058297
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119386D+07          6.076952         13.992699
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003486    0.000001958   -0.000016473
      2        6           0.000010401   -0.000007725    0.000028096
      3        6           0.000014260   -0.000035651    0.000017460
      4        6          -0.000017283    0.000008939    0.000004838
      5        6           0.000012087    0.000001995   -0.000005767
      6        6          -0.000006241    0.000000059   -0.000008061
      7        8           0.000000154    0.000000351    0.000005262
      8        6          -0.000000530    0.000016057   -0.000015160
      9        6           0.000005681   -0.000000596   -0.000016399
     10        6          -0.000001360    0.000035210   -0.000013940
     11        6          -0.000003918    0.000002344   -0.000001519
     12        1          -0.000004948   -0.000003735    0.000004686
     13        1           0.000005182   -0.000002791    0.000002496
     14        1          -0.000009704    0.000003417   -0.000004845
     15        1          -0.000007296   -0.000005340    0.000005557
     16        1           0.000005564   -0.000002597    0.000003092
     17        1           0.000000698    0.000000579    0.000001088
     18        1           0.000000703   -0.000000834   -0.000000093
     19        1          -0.000001718    0.000000763    0.000002089
     20        1          -0.000001668   -0.000006512   -0.000001153
     21        1           0.000002785   -0.000003516   -0.000000233
     22        1          -0.000001286   -0.000003034    0.000001345
     23        1           0.000001222    0.000003928   -0.000000631
     24        1           0.000000197   -0.000003374    0.000002626
     25        1           0.000000049    0.000000284    0.000003150
     26        1          -0.000000404    0.000001126   -0.000000041
     27        1           0.000000859   -0.000001304    0.000002529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035651 RMS     0.000008976
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.177286D+03  0.603415D+01 -0.230375D+01
      2   0.603415D+01  0.109423D+03 -0.302418D+01
      3  -0.230375D+01 -0.302418D+01  0.114009D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.481820D+01 -0.685493D+01 -0.738866D+01
      2   0.353363D+02 -0.118452D+02 -0.507666D+01
      3  -0.276034D+02  0.404364D+02  0.155895D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.100979D+03  0.279399D+02 -0.143157D+01
      2  -0.802644D+02 -0.397333D+00  0.232511D+01
      3  -0.207145D+02 -0.275426D+02 -0.893531D+00
      4   0.369459D+02 -0.970195D+02 -0.349730D+02
      5  -0.251023D+02 -0.343490D+02 -0.937107D+01
      6  -0.168511D+02 -0.274993D+02  0.109528D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.415909D+01 -0.448645D+01 -0.438604D+01 -0.499588D+01 -0.167236D+01
      2  -0.448645D+01 -0.184747D+01  0.785637D+00 -0.167236D+01  0.161939D+01
      3  -0.438604D+01  0.785637D+00  0.145926D+01  0.109918D+01 -0.405680D+01
                 6             7             8             9            10 
      1   0.109918D+01 -0.326798D+01  0.116295D+01  0.147995D+01 -0.288054D+02
      2  -0.405680D+01  0.116295D+01 -0.329827D+01  0.512463D+00  0.748847D+01
      3   0.998634D+00  0.147995D+01  0.512463D+00  0.310732D+01  0.346651D+01
                11            12            13            14            15 
      1   0.748847D+01  0.346651D+01  0.122488D+02 -0.120456D+01 -0.148845D+01
      2   0.147617D+01 -0.574453D+00 -0.120456D+01  0.103126D+01  0.295966D+01
      3  -0.574453D+00 -0.174352D+01 -0.148845D+01  0.295966D+01 -0.949594D-01
                16            17            18            19            20 
      1   0.170955D+02 -0.217372D+01 -0.255654D+01  0.570945D+02 -0.666505D-01
      2  -0.217372D+01  0.406122D+01  0.560720D+00 -0.666505D-01  0.460796D+01
      3  -0.255654D+01  0.560720D+00 -0.468091D+01  0.315149D+00  0.129490D+01
                21            22            23            24            25 
      1   0.315149D+00 -0.541306D+01  0.100226D+02  0.329140D+01 -0.543160D+01
      2   0.129490D+01  0.100226D+02  0.125749D+01 -0.494291D+00  0.254684D+01
      3   0.659117D+00  0.329140D+01 -0.494291D+00 -0.291991D+01  0.955230D+00
                26            27            28            29            30 
      1   0.254684D+01  0.955230D+00 -0.701845D+02 -0.344443D+01 -0.101176D+01
      2  -0.105383D+01 -0.245939D+01 -0.344443D+01 -0.324819D+01 -0.689748D+00
      3  -0.245939D+01  0.507438D+01 -0.101176D+01 -0.689748D+00 -0.163568D+01
                31            32            33            34            35 
      1  -0.119771D+02 -0.627042D+01 -0.210955D+01  0.879628D+01 -0.343245D+00
      2  -0.627042D+01 -0.318814D+01 -0.383135D+00 -0.343245D+00  0.458252D+00
      3  -0.210955D+01 -0.383135D+00  0.160326D+01 -0.223864D+01  0.180901D+01
                36            37            38            39            40 
      1  -0.223864D+01  0.613264D+02  0.310053D+01  0.352781D+01  0.136650D+02
      2   0.180901D+01  0.310053D+01  0.173982D+01  0.739488D+00  0.469955D+01
      3  -0.346452D+01  0.352781D+01  0.739488D+00  0.137393D+01  0.142777D+01
                41            42            43            44            45 
      1   0.469955D+01  0.142777D+01 -0.123531D+02 -0.665271D+00  0.393783D+01
      2   0.255250D+01 -0.623366D+00 -0.665271D+00 -0.139414D+01 -0.196250D+01
      3  -0.623366D+00 -0.210433D+01  0.393783D+01 -0.196250D+01  0.282140D+01
                46            47            48            49            50 
      1  -0.193230D+02 -0.691886D+00 -0.310014D+01  0.762423D+01  0.682884D+00
      2  -0.691886D+00  0.786636D+00  0.172048D+00  0.682884D+00  0.731413D+00
      3  -0.310014D+01  0.172048D+00  0.368907D+00  0.349532D+01 -0.820554D+00
                51            52            53            54            55 
      1   0.349532D+01 -0.308892D+02  0.126353D+01 -0.959990D+01  0.571441D+01
      2  -0.820554D+00  0.126353D+01  0.658033D-01  0.109656D+01 -0.760350D+00
      3   0.189345D+01 -0.959990D+01  0.109656D+01 -0.634582D+01  0.268927D+01
                56            57            58            59            60 
      1  -0.760350D+00  0.268927D+01 -0.106532D+02  0.214134D+01 -0.330713D+01
      2   0.363333D+00 -0.498226D+00  0.214134D+01 -0.205667D+01  0.298628D+01
      3  -0.498226D+00  0.117061D+01 -0.330713D+01  0.298628D+01 -0.181388D+01
                61            62            63            64            65 
      1   0.308117D+02 -0.610430D+00  0.110337D+02  0.920522D+01 -0.607785D+01
      2  -0.610430D+00  0.153843D+01 -0.141382D+01 -0.607785D+01 -0.144346D+01
      3   0.110337D+02 -0.141382D+01  0.113276D+02 -0.183138D+01  0.984215D+00
                66            67            68            69            70 
      1  -0.183138D+01 -0.618306D+01 -0.888343D+00  0.119924D+01 -0.641899D+01
      2   0.984215D+00 -0.888343D+00 -0.100415D+01 -0.256090D+01  0.168014D+01
      3   0.132343D+01  0.119924D+01 -0.256090D+01  0.119278D+01  0.172626D+01
                71            72            73            74            75 
      1   0.168014D+01  0.172626D+01  0.789953D+00  0.962237D+00 -0.119821D+01
      2  -0.308701D+01 -0.465233D-01  0.962237D+00 -0.399990D+01 -0.189405D+01
      3  -0.465233D-01  0.671901D+01 -0.119821D+01 -0.189405D+01  0.309607D+01
                76            77            78            79            80 
      1   0.155117D+01 -0.451104D+01 -0.277669D+01 -0.211422D+01 -0.260481D+01
      2  -0.451104D+01 -0.298336D+01 -0.117145D+01 -0.260481D+01 -0.152306D+01
      3  -0.277669D+01 -0.117145D+01 -0.690295D+00  0.474936D+01 -0.174594D+00
                81            82            83            84            85 
      1   0.474936D+01 -0.119316D+02 -0.759141D+01 -0.154586D+01 -0.840899D+01
      2  -0.174594D+00 -0.759141D+01 -0.211373D+01  0.869064D+00 -0.446904D+01
      3   0.227294D+01 -0.154586D+01  0.869064D+00 -0.572021D+00  0.480975D+00
                86            87            88            89            90 
      1  -0.446904D+01  0.480975D+00  0.732906D+01  0.237042D+01  0.402158D-01
      2   0.174582D+01  0.123435D+01  0.237042D+01  0.249392D+01  0.483695D+01
      3   0.123435D+01  0.358030D+01  0.402158D-01  0.483695D+01 -0.440759D+00
                91            92            93            94            95 
      1  -0.220627D+01  0.150973D+01 -0.477703D+01  0.262111D+01 -0.577598D+00
      2   0.150973D+01  0.108982D+01 -0.108390D+01 -0.577598D+00 -0.442634D+01
      3  -0.477703D+01 -0.108390D+01 -0.111790D+01 -0.906333D+00  0.352419D+01
                96            97            98            99           100 
      1  -0.906333D+00 -0.750683D+01 -0.833692D+00 -0.384100D+01 -0.474762D+01
      2   0.352419D+01 -0.833692D+00  0.283242D+01  0.100278D+01 -0.236886D+00
      3   0.160005D+01 -0.384100D+01  0.100278D+01  0.435218D+01 -0.255653D+01
               101           102           103           104           105 
      1  -0.236886D+00 -0.255653D+01  0.751872D+00 -0.543932D+00  0.720282D+00
      2  -0.453600D+00  0.108993D+00 -0.543932D+00  0.470500D+00 -0.637977D+00
      3   0.108993D+00 -0.246105D+01  0.720282D+00 -0.637977D+00  0.688742D+00
               106           107           108           109           110 
      1  -0.429073D+01  0.235063D+00 -0.416516D+01 -0.765799D+01 -0.200428D+01
      2   0.235063D+00 -0.139116D+01 -0.137303D+00 -0.200428D+01 -0.104680D+01
      3  -0.416516D+01 -0.137303D+00 -0.521992D+01  0.258343D+01  0.795471D+00
               111           112           113           114           115 
      1   0.258343D+01 -0.153989D+01 -0.146150D+01  0.886730D+00  0.537011D+01
      2   0.795471D+00 -0.146150D+01 -0.110113D+01  0.849611D+00  0.157860D+01
      3  -0.210627D+01  0.886730D+00  0.849611D+00 -0.543859D+00 -0.355763D+01
               116           117           118           119           120 
      1   0.157860D+01 -0.355763D+01  0.139082D+00  0.458181D+00 -0.891039D+00
      2   0.157811D+01 -0.857582D+00  0.458181D+00 -0.290805D+00 -0.221739D+00
      3  -0.857582D+00  0.262559D+01 -0.891039D+00 -0.221739D+00  0.326037D+00
               121           122           123           124           125 
      1   0.174038D+01 -0.645217D+00 -0.752972D-01 -0.106928D+01 -0.561204D-02
      2  -0.645217D+00  0.592870D+00 -0.100613D+01 -0.561204D-02 -0.147466D+01
      3  -0.752972D-01 -0.100613D+01  0.144893D+01 -0.252352D+00  0.936244D+00
               126           127           128           129           130 
      1  -0.252352D+00  0.988634D+00 -0.980698D-01  0.678991D+00  0.488940D+00
      2   0.936244D+00 -0.980698D-01  0.122101D+01 -0.532820D+00  0.381247D+00
      3  -0.696946D+01  0.678991D+00 -0.532820D+00  0.620149D+00 -0.240086D+00
               131           132           133           134           135 
      1   0.381247D+00 -0.240086D+00  0.116278D+01 -0.246752D+00  0.919270D-01
      2  -0.419744D+01  0.179475D+01 -0.246752D+00  0.347468D+01 -0.277825D+01
      3   0.179475D+01 -0.192333D+01  0.919270D-01 -0.277825D+01  0.343898D+01
               136           137           138           139           140 
      1   0.182222D+01 -0.297833D+00 -0.527711D+00  0.151192D+01 -0.821612D+00
      2  -0.297833D+00  0.331683D+00 -0.166786D-01 -0.821612D+00 -0.665947D+01
      3  -0.527711D+00 -0.166786D-01  0.106837D+00 -0.471361D+00 -0.328889D+01
               141           142           143           144           145 
      1  -0.471361D+00 -0.286412D+01 -0.141259D+01 -0.835918D+00  0.380162D+00
      2  -0.328889D+01 -0.141259D+01 -0.540871D+01 -0.432173D+01 -0.343590D+00
      3  -0.261358D+01 -0.835918D+00 -0.432173D+01 -0.406616D+01  0.966000D+00
               146           147           148           149           150 
      1  -0.343590D+00  0.966000D+00 -0.509735D+00  0.613253D+00 -0.941743D-01
      2   0.649333D+00 -0.308119D+00  0.613253D+00 -0.423984D+01  0.242091D+01
      3  -0.308119D+00  0.430658D+00 -0.941743D-01  0.242091D+01 -0.350674D+01
               151           152           153           154           155 
      1   0.705572D+00 -0.231001D+00  0.684639D-01 -0.684035D+01  0.255484D+01
      2  -0.231001D+00  0.198967D+01 -0.193767D+01  0.255484D+01 -0.169266D+01
      3   0.684639D-01 -0.193767D+01  0.279247D+01  0.387853D+01 -0.147292D+01
               156           157           158           159           160 
      1   0.387853D+01  0.194236D+01 -0.154096D+01 -0.132483D+01  0.156993D+01
      2  -0.147292D+01 -0.154096D+01  0.161181D+01  0.170951D+01 -0.954225D+00
      3  -0.366689D+01 -0.132483D+01  0.170951D+01  0.152858D+01 -0.243384D+01
               161           162           163           164           165 
      1  -0.954225D+00 -0.243384D+01  0.344486D+01  0.195233D+01  0.131842D+01
      2   0.996668D+00  0.108609D+01  0.195233D+01  0.243117D+01  0.120670D+01
      3   0.108609D+01  0.261803D+01  0.131842D+01  0.120670D+01  0.206356D+01
               166           167           168           169           170 
      1   0.153332D+01  0.160809D+01  0.627025D+00  0.265210D+00  0.468955D+00
      2   0.160809D+01  0.297741D+01  0.190714D+01  0.468955D+00  0.953407D+00
      3   0.627025D+00  0.190714D+01  0.179636D+01  0.807251D+00  0.925348D+00
               171           172           173           174           175 
      1   0.807251D+00  0.219346D+01  0.227174D+01  0.395641D+00  0.172209D+01
      2   0.925348D+00  0.227174D+01  0.433470D+01 -0.179572D+00  0.172154D+01
      3   0.121112D+01  0.395641D+00 -0.179572D+00  0.857309D+00  0.578359D-02
               176           177           178           179           180 
      1   0.172154D+01  0.578359D-02  0.776017D+00 -0.690787D-01  0.271455D+00
      2   0.550002D+01  0.217595D+00 -0.690787D-01  0.117870D+01  0.821720D+00
      3   0.217595D+00  0.628970D+00  0.271455D+00  0.821720D+00 -0.262534D+00
               181           182           183           184           185 
      1  -0.809145D+01  0.478339D+01  0.116214D+01  0.167703D+01 -0.276171D+01
      2   0.478339D+01 -0.342826D+01 -0.525693D+00 -0.276171D+01  0.322977D+01
      3   0.116214D+01 -0.525693D+00 -0.142023D+01 -0.714801D+00  0.732573D+00
               186           187           188           189           190 
      1  -0.714801D+00  0.362442D+01 -0.175363D+01 -0.149170D+01 -0.142887D+01
      2   0.732573D+00 -0.175363D+01  0.211315D+01  0.894660D+00  0.837919D+00
      3   0.444098D+00 -0.149170D+01  0.894660D+00  0.567234D+00 -0.997433D+00
               191           192           193           194           195 
      1   0.837919D+00 -0.997433D+00  0.352318D+00  0.259024D-01 -0.136107D+00
      2  -0.692254D-01  0.676328D-01  0.259024D-01 -0.145303D+00 -0.643911D+00
      3   0.676328D-01 -0.999774D+00 -0.136107D+00 -0.643911D+00 -0.513306D+00
               196           197           198           199           200 
      1  -0.131968D+01  0.441987D+00 -0.198719D+01 -0.144838D+01 -0.512847D+00
      2   0.441987D+00 -0.163180D+01  0.127159D+01 -0.512847D+00  0.272718D-02
      3  -0.198719D+01  0.127159D+01 -0.831508D+01  0.795141D+00 -0.586738D-01
               201           202           203           204           205 
      1   0.795141D+00 -0.137635D+01  0.103765D+01  0.407815D+00  0.205018D+01
      2  -0.586738D-01  0.103765D+01 -0.790710D+00  0.118102D+01  0.615931D+00
      3  -0.275005D-02  0.407815D+00  0.118102D+01 -0.131408D+01 -0.457702D+00
               206           207           208           209           210 
      1   0.615931D+00 -0.457702D+00  0.146049D+01  0.669914D+00 -0.118476D+01
      2   0.139762D+01 -0.132330D+01  0.669914D+00  0.598564D-01 -0.511659D-01
      3  -0.132330D+01  0.477167D+01 -0.118476D+01 -0.511659D-01 -0.248329D+00
               211           212           213           214           215 
      1   0.978395D+00 -0.213579D+00 -0.734280D+00 -0.187878D+01 -0.564039D+00
      2  -0.213579D+00  0.644816D+00 -0.101105D+01 -0.564039D+00 -0.128110D+01
      3  -0.734280D+00 -0.101105D+01  0.191795D+01  0.936880D+00  0.180113D+01
               216           217           218           219           220 
      1   0.936880D+00  0.309227D+01 -0.787145D+00 -0.560345D+00 -0.241818D+01
      2   0.180113D+01 -0.787145D+00  0.206215D+00  0.486094D+00  0.121986D+01
      3  -0.645144D+01 -0.560345D+00  0.486094D+00  0.768812D+00  0.152381D+01
               221           222           223           224           225 
      1   0.121986D+01  0.152381D+01 -0.397600D+01  0.241259D+00  0.357986D+01
      2  -0.137543D+01 -0.221490D+01  0.241259D+00 -0.214421D+01 -0.168836D+01
      3  -0.221490D+01 -0.290440D+01  0.357986D+01 -0.168836D+01 -0.676940D+01
               226           227           228           229           230 
      1   0.950738D+01  0.213011D+00  0.231828D+01 -0.634235D+00  0.121638D+01
      2   0.213011D+00  0.101306D+01  0.177886D+00  0.121638D+01  0.372540D+00
      3   0.231828D+01  0.177886D+00  0.161177D+01  0.105409D+00  0.985867D-01
               231           232           233           234           235 
      1   0.105409D+00  0.514658D+01  0.399580D+00  0.222063D+01  0.134720D+01
      2   0.985867D-01  0.399580D+00  0.600238D+00 -0.500670D-01  0.597386D+00
      3  -0.279420D+00  0.222063D+01 -0.500670D-01  0.153911D+01  0.472924D+00
               236           237           238           239           240 
      1   0.597386D+00  0.472924D+00  0.370073D+01  0.221157D+01 -0.891650D+00
      2  -0.679392D+00  0.419623D+00  0.221157D+01  0.783038D+01 -0.270282D+01
      3   0.419623D+00 -0.262062D+00 -0.891650D+00 -0.270282D+01  0.189999D+01
               241           242           243 
      1  -0.132289D+01 -0.537158D+00  0.151857D+01
      2  -0.537158D+00 -0.204432D+01  0.159584D+01
      3   0.151857D+01  0.159584D+01 -0.225305D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.591502D+01 -0.468258D+01  0.905961D+00 -0.369658D+01  0.716460D+01
      2   0.788753D+01  0.818936D+01  0.910574D+01  0.629916D+01  0.127279D+02
      3  -0.876419D+01 -0.939770D+01 -0.192371D+01 -0.451207D+01  0.120461D+01
                 6             7             8             9            10 
      1  -0.133161D+02 -0.686288D+00 -0.611683D+01  0.808908D+00 -0.263593D+01
      2  -0.406494D+01  0.501366D+00 -0.214994D+01 -0.794518D+01 -0.245844D+02
      3  -0.673618D+01 -0.830297D-02 -0.611269D+01  0.179619D+01  0.181269D+02
                11            12            13            14            15 
      1   0.252319D+01  0.105873D+01  0.436991D+01 -0.505889D+01 -0.377608D+01
      2   0.183678D+01  0.777969D+01  0.416294D+01 -0.102958D+02 -0.890909D+00
      3   0.453596D+01  0.250674D+01  0.149993D+02  0.699120D+01  0.682963D+01
                16            17            18            19            20 
      1   0.370235D+01  0.691621D+01  0.376933D+01  0.218637D+00 -0.138678D+01
      2   0.111972D+02 -0.157250D+01  0.104724D+02  0.328491D+02  0.972736D+00
      3  -0.582614D+01  0.776715D+01 -0.114671D-01 -0.254696D+02 -0.638006D+01
                21            22            23            24            25 
      1  -0.116492D+01 -0.879770D+01 -0.283398D+01 -0.310121D+01 -0.373974D+01
      2   0.302295D+01 -0.329569D+01  0.717760D+01  0.520169D+01 -0.170492D+02
      3  -0.882838D+00  0.524566D+00 -0.815830D+01 -0.222554D+01  0.183823D+00
                26            27            28            29            30 
      1   0.205914D+01  0.501857D+01  0.360446D+01 -0.656606D+00  0.406410D-01
      2   0.350839D+01 -0.346190D+01 -0.404337D+02 -0.378407D+01 -0.444537D+01
      3  -0.348568D+01 -0.179020D+01  0.212297D+02  0.680129D+01  0.153668D+01
                31            32            33            34            35 
      1   0.517647D+01  0.271678D+01 -0.227843D+01  0.297918D+01  0.176807D+00
      2  -0.135499D+02 -0.385563D+01 -0.116237D+01 -0.149532D+02 -0.173586D+01
      3   0.369217D+02  0.709416D+01  0.855782D-01  0.302409D+01  0.148830D+01
                36            37            38            39            40 
      1  -0.426967D+01 -0.226511D+01 -0.821897D+00 -0.628738D+00 -0.812772D+01
      2  -0.143032D+01  0.453948D+02  0.294556D+01  0.131767D+02  0.153036D+02
      3  -0.694330D-01 -0.173717D+02 -0.111080D+02 -0.165684D+01 -0.948472D+01
                41            42            43            44            45 
      1  -0.302888D+00 -0.517812D+01  0.187781D+01 -0.224431D+00 -0.963444D+00
      2   0.277516D+01 -0.154634D+01 -0.142553D+02 -0.381503D+01  0.637524D+01
      3  -0.586754D+01  0.442840D+00 -0.617307D+00 -0.152096D+01  0.100647D+01
                46            47            48            49            50 
      1  -0.202750D+00  0.241465D+01  0.273126D+01 -0.748490D+01  0.415893D+01
      2  -0.101288D+02 -0.267340D+01 -0.514929D+01  0.788385D+01 -0.203821D+01
      3   0.203146D+01  0.129207D+02  0.501288D+01  0.239502D+02  0.753270D+00
                51            52            53            54            55 
      1  -0.767520D+01  0.170521D+01 -0.380829D+01 -0.281459D+01  0.147929D+01
      2   0.776854D+01 -0.547897D+02  0.916122D+00 -0.300645D+02  0.169964D+01
      3   0.174893D+01  0.600488D+01  0.104297D+02 -0.143248D+01 -0.202514D+00
                56            57            58            59            60 
      1  -0.569428D+00 -0.616543D+00  0.436164D+00 -0.291911D+01 -0.157099D+01
      2  -0.142966D+01  0.792595D+01 -0.108828D+02  0.888446D+01 -0.942400D+01
      3  -0.774046D+01  0.142804D+00 -0.648657D+01  0.700418D+01 -0.790578D+01
                61            62            63            64            65 
      1  -0.123464D+01  0.898417D+01  0.673520D+00  0.878209D+01 -0.175297D+01
      2   0.346308D+02 -0.448345D+01  0.457328D+02  0.983256D+01 -0.683874D+01
      3  -0.546805D+01 -0.137110D+02  0.284235D+01 -0.119300D+02 -0.205568D+02
                66            67            68            69            70 
      1  -0.406486D+01 -0.163221D+01  0.766256D+01 -0.170293D+01 -0.775828D+01
      2  -0.232483D+01 -0.573479D+01  0.538791D+01 -0.189388D+01 -0.105220D+02
      3  -0.180158D+01 -0.901163D+01 -0.758148D+01 -0.427686D+01  0.991178D+00
                71            72            73            74            75 
      1   0.515167D+01 -0.161736D+02 -0.283053D+00 -0.179542D+01  0.368889D+01
      2   0.132314D+01 -0.159123D+02  0.486237D+01  0.815216D+01 -0.103409D+02
      3  -0.497375D+01  0.353722D+01  0.558246D+01 -0.219062D+02 -0.789053D+01
                76            77            78            79            80 
      1  -0.160613D+01 -0.410686D+00 -0.241332D+01  0.536639D+01  0.180972D+01
      2   0.107746D+02  0.299688D+01  0.733173D+00 -0.235312D+02 -0.187311D+01
      3  -0.139214D+02 -0.526085D+01 -0.242833D+01 -0.893624D+01 -0.167116D+01
                81            82            83            84            85 
      1   0.220466D+01  0.207751D+01  0.451048D+01 -0.197226D+01  0.614006D+01
      2  -0.596835D+01 -0.713242D+01 -0.711212D+01  0.176233D+01 -0.924828D+01
      3  -0.488684D+01 -0.409728D+01  0.832052D+01  0.330181D+01  0.213795D+02
                86            87            88            89            90 
      1   0.427103D+01  0.673674D+01 -0.313804D+01  0.157212D+02 -0.351370D+01
      2  -0.529253D+01 -0.559373D+01  0.823167D+00 -0.654038D+01  0.142820D+01
      3   0.984517D+01  0.451944D+00  0.316431D+01  0.128453D+00  0.100571D+02
                91            92            93            94            95 
      1   0.303319D+00 -0.242508D+01  0.108145D+01  0.738841D+01  0.308051D+01
      2  -0.199838D+02 -0.274971D+01 -0.472631D+01 -0.372026D+01  0.150627D+02
      3  -0.825571D+01 -0.107356D+02  0.244795D+01  0.160913D+02  0.215308D+02
                96            97            98            99           100 
      1  -0.841370D+01  0.530621D+01 -0.694677D+00 -0.415144D+01 -0.199037D+01
      2   0.798195D+01 -0.261531D+02  0.341670D+01  0.159136D+02  0.560816D+01
      3  -0.202688D+02  0.460792D+01 -0.111370D+02 -0.725054D+01  0.342664D+01
               101           102           103           104           105 
      1   0.111685D+01 -0.215808D+01  0.570928D+00 -0.115823D+01  0.266142D-01
      2  -0.878252D+00  0.912227D+01 -0.216074D+01  0.192614D+01 -0.224588D+01
      3  -0.257850D+01  0.278435D+01 -0.179406D+00  0.284687D+01 -0.260471D+01
               106           107           108           109           110 
      1  -0.345436D+01  0.299285D+01 -0.441869D+01  0.279162D+01 -0.100148D+00
      2   0.981249D+01  0.121833D+00  0.167925D+02 -0.100057D+02 -0.316617D+01
      3   0.478153D+01 -0.613033D+01  0.335967D+01  0.122609D+01 -0.437879D+01
               111           112           113           114           115 
      1  -0.268040D+01  0.162133D+01  0.537492D+00 -0.156489D+01 -0.309158D+01
      2   0.104008D+02 -0.358344D+01 -0.341622D+01  0.257233D+01  0.115262D+02
      3   0.256399D+00 -0.597012D+00 -0.254120D+01  0.202180D+01  0.762359D+00
               116           117           118           119           120 
      1   0.844196D+00  0.320027D+01 -0.793492D+00 -0.584898D-01  0.185520D+00
      2   0.286283D+01 -0.115753D+02  0.289662D+01  0.472732D+00  0.506771D+00
      3   0.562300D+01  0.526402D+00  0.333135D+00 -0.957278D+00  0.484603D+00
               121           122           123           124           125 
      1  -0.178777D+01 -0.165033D+01  0.267087D+00 -0.740629D+00  0.434156D+01
      2   0.927489D+00  0.645978D-01 -0.178297D+01 -0.374487D+01 -0.792386D+00
      3   0.275761D+01  0.478903D+00 -0.450504D+00  0.841948D+00 -0.103799D+01
               126           127           128           129           130 
      1  -0.373013D+01  0.233995D+01 -0.137214D+01  0.225931D+01 -0.107973D+01
      2   0.668129D+01 -0.951407D+00  0.115730D+01 -0.823307D-01  0.178303D+01
      3   0.110290D+01 -0.249030D+01  0.951441D+00 -0.270918D+01  0.203149D+01
               131           132           133           134           135 
      1   0.495100D+01 -0.660575D+01  0.766279D+00 -0.553005D+01  0.112952D+02
      2  -0.286314D+01  0.309090D+01 -0.168974D+01  0.466504D+01 -0.572367D+01
      3  -0.834424D+01  0.399239D+01 -0.448546D+01  0.679431D+01 -0.613712D+01
               136           137           138           139           140 
      1  -0.170157D+01 -0.585799D+00  0.297076D+00 -0.501230D+00 -0.234617D+01
      2   0.206654D+01  0.735946D-01  0.483783D+00  0.454229D+00  0.512870D+01
      3  -0.182779D+01  0.153016D+00  0.105189D+01  0.147113D+01 -0.113769D+02
               141           142           143           144           145 
      1  -0.637964D+01  0.214888D+00 -0.439607D+01 -0.769785D+01 -0.146577D+01
      2   0.452930D+01 -0.241737D+01  0.654087D+01  0.644737D+01 -0.426742D+01
      3  -0.531536D+01  0.237484D+01 -0.821700D+01 -0.730956D+01 -0.651483D+00
               146           147           148           149           150 
      1   0.241143D+01 -0.613139D+00  0.202656D+01 -0.132093D+02  0.430146D+01
      2   0.176620D+01 -0.169135D+01  0.358830D+01 -0.685978D+01  0.732311D+01
      3   0.450841D+00  0.114078D-01  0.277232D+01 -0.693914D+01  0.392127D+01
               151           152           153           154           155 
      1  -0.542686D+00  0.684216D+01 -0.478838D+01  0.203831D+01 -0.330254D+01
      2  -0.322803D+01  0.466406D+01 -0.568415D+01  0.444037D+01 -0.137431D+01
      3  -0.602722D+00  0.306864D+01 -0.328913D+01  0.636960D+00 -0.398132D+01
               156           157           158           159           160 
      1   0.824589D+00 -0.189197D+01  0.193900D+01  0.548476D+00 -0.577665D+00
      2   0.385805D+01 -0.267707D+01 -0.120503D+01 -0.155977D+01 -0.240348D+01
      3  -0.726253D+00 -0.609337D+00  0.298947D+01  0.254335D+01  0.465945D+00
               161           162           163           164           165 
      1   0.276346D+01 -0.313955D+00  0.268377D+01  0.467923D+01 -0.609057D+00
      2  -0.606032D-01 -0.143788D+01 -0.129470D+02 -0.716700D+01 -0.527525D+01
      3   0.205828D+01  0.456546D+00  0.885612D+01  0.479144D+01  0.330959D+01
               166           167           168           169           170 
      1   0.273654D+01  0.438230D+01  0.121908D+00  0.337830D+00  0.264216D+01
      2  -0.669536D+01 -0.788623D+01 -0.403358D+01 -0.439054D+01 -0.311339D+01
      3   0.667289D+01  0.625326D+01  0.427654D+01  0.138433D+01  0.184006D+01
               171           172           173           174           175 
      1   0.710555D+00 -0.248017D+01 -0.190104D+01 -0.329014D+01 -0.133462D+01
      2  -0.399983D+01  0.109060D+01  0.194146D+01 -0.280220D-02  0.137478D+01
      3   0.284279D+01  0.151363D+02  0.148692D+02  0.731445D+00  0.108215D+02
               176           177           178           179           180 
      1  -0.368534D+01 -0.354695D+01 -0.760756D+00 -0.843990D+00 -0.192249D-01
      2   0.112412D+01 -0.533527D+00 -0.113803D+01 -0.171016D+01  0.803870D+00
      3   0.182712D+02  0.609016D+00  0.151868D+01  0.275608D+01  0.283631D+01
               181           182           183           184           185 
      1  -0.525931D+01  0.289919D+01  0.482200D+01  0.323629D+01 -0.339713D+01
      2  -0.689242D+01  0.384811D+01  0.692679D+01  0.280430D+01 -0.350763D+01
      3  -0.259530D+01 -0.295524D+01  0.140514D+01  0.193166D+01  0.414322D+01
               186           187           188           189           190 
      1  -0.291120D+01  0.380381D+01 -0.140819D+01 -0.202905D+01  0.140645D+01
      2  -0.265154D+01  0.467670D+01 -0.277272D+01 -0.282914D+01  0.151272D+01
      3   0.588997D+00  0.900471D-01  0.355730D+01 -0.506312D+00  0.684394D+00
               191           192           193           194           195 
      1   0.153568D+00  0.227380D+01 -0.131001D+00  0.200528D+01  0.458708D+00
      2   0.163508D+00  0.256290D+01  0.158891D+00  0.155085D+01  0.125158D+01
      3   0.297936D+00 -0.146254D+01  0.930708D+00 -0.432384D+00 -0.157253D+01
               196           197           198           199           200 
      1   0.374045D+01  0.248123D+01  0.173906D+02 -0.136223D+00  0.554140D+00
      2   0.848948D+00 -0.249481D+01  0.192172D+02 -0.109286D+01 -0.505822D+00
      3  -0.190850D+01 -0.391924D+01  0.608058D+00  0.117687D+01 -0.663138D-01
               201           202           203           204           205 
      1  -0.174768D+00  0.492690D+01 -0.139484D+00 -0.139997D+01  0.920692D+00
      2  -0.535936D+00  0.180677D+01  0.189987D+01  0.222978D-01 -0.426111D+01
      3  -0.534761D+00  0.467696D+00  0.331455D+00 -0.898551D+00 -0.282267D+01
               206           207           208           209           210 
      1   0.247374D+01  0.401625D+01 -0.165445D+01 -0.180014D-01 -0.458408D-01
      2   0.709289D+00  0.339921D+01 -0.132270D+01  0.473609D+00 -0.845081D+00
      3  -0.163453D+01  0.353197D+00 -0.311337D+01 -0.729374D+00 -0.741662D-01
               211           212           213           214           215 
      1   0.649717D+01 -0.708523D+00  0.263598D+00  0.226364D+01  0.433677D+01
      2  -0.169549D+01 -0.215519D+01  0.301349D+01 -0.302975D+01  0.282108D+01
      3   0.101637D+02 -0.401993D+00  0.242142D+01  0.365865D+01  0.316790D+01
               216           217           218           219           220 
      1  -0.207598D+00  0.225074D+00 -0.541512D+00 -0.885626D+00 -0.264705D+01
      2  -0.107020D+02  0.478741D+00  0.139737D+01  0.395530D+01  0.492468D+01
      3  -0.347882D+01  0.136763D+01 -0.266551D+01 -0.212453D+01 -0.869688D+01
               221           222           223           224           225 
      1   0.285617D+01  0.275641D+01 -0.306002D+01  0.429482D+01  0.526898D+01
      2  -0.859440D+01 -0.121487D+02  0.104687D+02 -0.730565D+01 -0.265888D+02
      3   0.629456D+01  0.112540D+02 -0.487745D+01  0.919749D+01  0.107275D+02
               226           227           228           229           230 
      1  -0.156679D+01 -0.391432D-01 -0.108206D+01 -0.915762D+00 -0.357930D+00
      2   0.166740D+02  0.842700D+00  0.112488D+02  0.261574D+00  0.790495D+00
      3   0.312701D+01 -0.622922D+01  0.580047D+00 -0.304785D+01 -0.896468D+00
               231           232           233           234           235 
      1  -0.522082D+00 -0.124363D+01  0.891068D+00 -0.678219D+00  0.399532D+00
      2  -0.108813D+01  0.103765D+02 -0.239363D+00  0.890321D+01  0.129821D+01
      3  -0.547306D+00  0.498582D+00 -0.329313D+01  0.107924D+01  0.811946D+00
               236           237           238           239           240 
      1   0.746842D+00 -0.182788D+00 -0.234168D+01 -0.603539D+01 -0.129102D+00
      2   0.193376D+01  0.585357D+00  0.735687D+00 -0.952753D+01  0.713190D+01
      3   0.356402D+01 -0.226516D+01 -0.870215D+01 -0.352160D+02  0.128913D+02
               241           242           243 
      1   0.592824D-01  0.200959D+01 -0.989761D-01
      2   0.405615D+01  0.609413D+01 -0.769200D+01
      3   0.119972D+01  0.896780D+01 -0.697008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.215487D+01  0.190061D+02  0.184382D+02  0.162737D+02  0.132926D+02
      2   0.186511D+01 -0.155423D+02 -0.132371D+02 -0.135161D+02  0.441710D+01
      3  -0.401998D+01 -0.346383D+01 -0.520109D+01 -0.275765D+01 -0.177097D+02
      4   0.204172D+02 -0.279181D+01 -0.117403D+02 -0.112893D+01 -0.986964D+01
      5   0.257543D+02 -0.175342D+02 -0.196842D+02 -0.188426D+02  0.110709D+02
      6  -0.181497D+02 -0.487370D+01  0.520966D+01 -0.270868D+01  0.144129D+01
                 6             7             8             9            10 
      1  -0.474801D+01  0.128933D+02 -0.525658D+01 -0.139560D+02 -0.286154D+02
      2  -0.331964D+01 -0.823252D+01 -0.400256D+01 -0.134154D+01  0.291967D+02
      3   0.806765D+01 -0.466075D+01  0.925913D+01  0.152975D+02 -0.581269D+00
      4   0.156613D+02 -0.120117D+02  0.134036D+02  0.847760D+00 -0.398849D+02
      5  -0.937300D+00 -0.179776D+02  0.976121D+00 -0.734631D+01 -0.128493D+02
      6  -0.127554D+02  0.483453D+01 -0.111862D+02  0.778843D+01  0.752447D+01
                11            12            13            14            15 
      1  -0.210786D+02 -0.806019D+01 -0.280697D+02 -0.267123D+02 -0.529319D+01
      2   0.136098D+02  0.416641D+01  0.180556D+02  0.102065D+02  0.729520D+01
      3   0.746874D+01  0.389378D+01  0.100142D+02  0.165058D+02 -0.200201D+01
      4   0.135369D+01  0.455693D+01 -0.226365D+00 -0.496029D+01 -0.150207D+02
      5   0.306139D+01  0.106037D+02  0.557738D+01 -0.128639D+02  0.149157D+01
      6  -0.413864D+01 -0.135407D+01 -0.186789D+01  0.124597D+02  0.130892D+01
                16            17            18            19            20 
      1   0.505776D+01 -0.393152D+01  0.119005D+02  0.805279D+02  0.104587D+02
      2  -0.125475D+02  0.101758D+02 -0.577671D+01 -0.763370D+02 -0.120404D+02
      3   0.748978D+01 -0.624425D+01 -0.612377D+01 -0.419095D+01  0.158167D+01
      4   0.102133D+02 -0.202530D+02 -0.250194D+01  0.854252D+01 -0.177985D+02
      5   0.125991D+02 -0.111784D+01  0.200684D+02 -0.700895D+01 -0.444252D+01
      6  -0.386874D+01 -0.923635D+00 -0.100026D+02 -0.172075D+02 -0.410433D+01
                21            22            23            24            25 
      1   0.470192D+01  0.123718D+02  0.110587D+02 -0.152156D+01  0.809969D+00
      2  -0.618169D+01 -0.165346D+02 -0.121494D+02 -0.411482D+01  0.295203D+01
      3   0.147977D+01  0.416276D+01  0.109077D+01  0.563638D+01 -0.376200D+01
      4  -0.458226D+01 -0.340884D+02 -0.444949D+01  0.381133D+01 -0.972869D+01
      5   0.542509D+00 -0.958373D+01  0.521232D+00  0.606812D+01 -0.297460D+01
      6  -0.129946D+01 -0.756127D+01 -0.423247D+01  0.131049D+01 -0.953032D+00
                26            27            28            29            30 
      1  -0.187893D+01  0.756016D+01 -0.141149D+03 -0.624087D+01 -0.697066D+01
      2  -0.479042D+01  0.115927D+02  0.104554D+03  0.510413D+01  0.447687D+01
      3   0.666935D+01 -0.191529D+02  0.365953D+02  0.113675D+01  0.249379D+01
      4   0.769651D+01  0.514590D+01  0.212028D+01 -0.669678D+01 -0.682552D+00
      5   0.366010D+01 -0.720101D+01  0.438007D+01 -0.866277D+00 -0.105796D+02
      6   0.407924D+01  0.253703D+01  0.193098D+02  0.474778D+01  0.169223D+01
                31            32            33            34            35 
      1  -0.322977D+02 -0.261262D+02 -0.856103D+01  0.279023D+02 -0.439504D+01
      2   0.278912D+02  0.242912D+02  0.516936D+01 -0.166374D+02  0.511890D+01
      3   0.440648D+01  0.183495D+01  0.339167D+01 -0.112650D+02 -0.723858D+00
      4  -0.967079D+01 -0.858914D+01 -0.222187D+01 -0.113233D+01 -0.132068D+01
      5  -0.135332D+01 -0.742026D+00 -0.269348D+01  0.106036D+01  0.156073D+01
      6   0.315864D+01  0.666688D+01  0.395068D+01 -0.562589D+00 -0.598999D+00
                36            37            38            39            40 
      1  -0.372960D+01  0.159202D+03  0.103340D+02  0.100162D+02  0.341383D+02
      2  -0.163248D+01 -0.113191D+03 -0.645878D+01 -0.699538D+01 -0.177182D+02
      3   0.536207D+01 -0.460106D+02 -0.387523D+01 -0.302084D+01 -0.164201D+02
      4   0.200465D+01 -0.397305D+01  0.148820D+02  0.714507D-01  0.311363D+02
      5  -0.201329D+01  0.111735D+02  0.165188D+01  0.201791D+02  0.599466D+01
      6   0.535821D+01 -0.192803D+02 -0.450634D+01 -0.290928D+01 -0.112377D+02
                41            42            43            44            45 
      1   0.358255D+01 -0.261220D+01 -0.335938D+02 -0.910434D+01  0.137633D+02
      2   0.301967D+01 -0.335000D+01  0.217264D+02  0.335169D+01 -0.201013D+01
      3  -0.660222D+01  0.596220D+01  0.118674D+02  0.575266D+01 -0.117531D+02
      4   0.720690D+01 -0.300184D+01  0.175541D+01 -0.178842D+01 -0.673582D+01
      5  -0.258249D+01 -0.496788D+01  0.270834D+02 -0.482358D+01  0.871700D+01
      6  -0.990522D+00  0.409317D+01 -0.184053D+01  0.295132D+01  0.593628D+01
                46            47            48            49            50 
      1  -0.603504D+02 -0.544702D+01  0.992294D+01  0.842453D+01 -0.298004D+01
      2   0.444724D+02 -0.211662D+01 -0.206555D+01 -0.110857D+02  0.640754D+01
      3   0.158781D+02  0.756364D+01 -0.785739D+01  0.266114D+01 -0.342750D+01
      4  -0.608242D+01 -0.170196D+02  0.500750D+01  0.963616D+00  0.228183D+01
      5  -0.113680D+01  0.206872D+01 -0.170800D+02  0.265054D+02 -0.536670D+01
      6   0.123139D+02  0.170354D+01  0.592665D-01 -0.292032D+01  0.527958D+01
                51            52            53            54            55 
      1   0.983356D+01 -0.593897D+02  0.468390D+01 -0.190980D+02  0.312309D+02
      2  -0.107659D+02  0.526326D+02  0.109942D+01  0.224220D+02 -0.181928D+02
      3   0.932354D+00  0.675710D+01 -0.578332D+01 -0.332395D+01 -0.130381D+02
      4  -0.679648D+01  0.266744D+02 -0.814821D+01  0.111442D+02 -0.807079D+01
      5   0.952658D+01 -0.629172D+02  0.612222D+01 -0.465677D+02  0.209542D+02
      6   0.327665D+01  0.149467D+02 -0.611610D+01  0.776784D+01 -0.203855D+01
                56            57            58            59            60 
      1  -0.346773D+01  0.109921D+02 -0.298841D+02 -0.198059D+00 -0.392059D+01
      2   0.303035D+01 -0.757212D+01  0.188345D+02  0.128551D+01  0.382367D+01
      3   0.437374D+00 -0.341995D+01  0.110496D+02 -0.108745D+01  0.969159D-01
      4   0.131689D+02 -0.519590D+01  0.245726D+02 -0.161398D+02  0.214701D+02
      5  -0.421483D+01  0.213622D+02 -0.199433D+02  0.207812D+02 -0.130913D+02
      6   0.183904D+01 -0.154888D+01  0.120259D+02 -0.863719D+01  0.137290D+02
                61            62            63            64            65 
      1   0.843008D+02  0.347765D+01  0.521469D+01 -0.651899D+00  0.369688D+02
      2  -0.647919D+02 -0.258807D+01 -0.335235D+02 -0.223747D+02 -0.252680D+02
      3  -0.195089D+02 -0.889584D+00  0.283088D+02  0.230266D+02 -0.117008D+02
      4  -0.148706D+02  0.180243D+02 -0.157519D+02  0.392543D+02 -0.201677D+02
      5   0.721551D+02 -0.992680D+01  0.786713D+02  0.815234D+01 -0.251965D+01
      6  -0.135893D+02  0.147450D+02 -0.993354D+01 -0.777016D+01  0.656466D+01
                66            67            68            69            70 
      1   0.104550D+02  0.317121D+02  0.546144D+01 -0.663173D-01  0.804415D+01
      2  -0.490734D+00 -0.193111D+02 -0.613688D+01 -0.685680D+01  0.765561D+01
      3  -0.996424D+01 -0.124010D+02  0.675434D+00  0.692312D+01 -0.156998D+02
      4  -0.124056D+02 -0.157050D+02 -0.427671D+01  0.147237D+02 -0.195865D+02
      5  -0.498967D+01 -0.413366D+01  0.143546D+02 -0.594452D+01 -0.686921D+01
      6   0.421219D+01  0.797462D+01 -0.126203D+02  0.493105D+01  0.606383D+01
                71            72            73            74            75 
      1  -0.229554D+01 -0.348004D+01 -0.120363D+02 -0.110181D+02  0.277622D+01
      2  -0.983985D+01  0.169688D+02  0.806855D+01  0.817255D+01  0.539101D+01
      3   0.121354D+02 -0.134888D+02  0.396775D+01  0.284555D+01 -0.816723D+01
      4   0.182158D+02  0.440490D+01 -0.100176D+02  0.110682D+02  0.112401D+02
      5  -0.283586D+00 -0.342971D+02  0.105638D+02  0.109085D+02 -0.262654D+02
      6   0.502691D+01  0.193352D+02  0.339926D+01  0.812584D+01 -0.278916D+01
                76            77            78            79            80 
      1  -0.112473D+02  0.314549D+02  0.181467D+02  0.106499D+02  0.191447D+02
      2   0.924999D+01 -0.148292D+02 -0.999678D+01  0.319694D+01 -0.113140D+02
      3   0.199728D+01 -0.166256D+02 -0.814996D+01 -0.138469D+02 -0.783069D+01
      4   0.237125D+02  0.199289D+02  0.916885D+01  0.211774D+02  0.125273D+02
      5   0.183772D+02  0.682883D+01  0.264238D+01 -0.390882D+02 -0.435274D+00
      6   0.663065D+01  0.135705D+01  0.418480D+00 -0.563306D+01  0.186470D+01
                81            82            83            84            85 
      1  -0.322127D+02 -0.437165D+02  0.482490D+01  0.487987D+01  0.999088D+01
      2   0.241801D+02  0.468450D+02  0.675751D+01 -0.562703D+01  0.414034D+01
      3   0.803256D+01 -0.312851D+01 -0.115824D+02  0.747162D+00 -0.141312D+02
      4  -0.513177D+01  0.250028D+02  0.185336D+02 -0.652377D+00  0.257365D+02
      5  -0.162141D+02  0.590785D+01  0.572205D+00  0.216489D+01 -0.123872D+01
      6   0.236442D+01  0.122719D+02 -0.204405D+01  0.285404D+01 -0.137972D+01
                86            87            88            89            90 
      1   0.780807D+01 -0.858073D+00  0.231976D+02  0.421148D+01  0.239736D+02
      2  -0.162091D+01  0.166791D+01 -0.230029D+02 -0.370797D+01 -0.262946D+02
      3  -0.618717D+01 -0.809832D+00 -0.194773D+00 -0.503508D+00  0.232099D+01
      4  -0.190509D+01 -0.757586D+01 -0.692913D+01 -0.132822D+02 -0.125705D+02
      5  -0.331690D+01 -0.113599D+02  0.217885D+01 -0.157790D+02  0.201045D+01
      6  -0.105272D+02 -0.201286D+02 -0.291153D+01 -0.303863D+02 -0.487352D+01
                91            92            93            94            95 
      1  -0.232732D+02  0.849283D+01 -0.408309D+02  0.190848D+02  0.117884D+02
      2   0.104758D+02 -0.210174D+01  0.194826D+02 -0.162082D+02 -0.116636D+02
      3   0.127974D+02 -0.639109D+01  0.213483D+02 -0.287658D+01 -0.124766D+00
      4   0.143992D+02  0.137450D+02 -0.113427D+02 -0.614873D+01 -0.324555D+02
      5  -0.460902D+02 -0.103842D+02 -0.238460D+01 -0.124223D+02  0.261522D+02
      6  -0.658585D+01 -0.442988D+01  0.248388D+01  0.334207D+01  0.102867D+02
                96            97            98            99           100 
      1  -0.949343D+01 -0.551729D+02 -0.795658D+01 -0.212888D+02  0.355873D+02
      2   0.163344D+02  0.255888D+02  0.116277D+02  0.165376D+02 -0.236227D+02
      3  -0.684100D+01  0.295841D+02 -0.367108D+01  0.475121D+01 -0.119646D+02
      4   0.281800D+02 -0.114041D+02  0.207560D+02  0.113615D+02  0.619489D+01
      5   0.185594D+02 -0.270630D+02  0.114626D+02  0.322579D+02  0.247427D+02
      6  -0.827722D+01  0.377138D+01 -0.475003D+01 -0.633816D+01  0.179156D+01
               101           102           103           104           105 
      1   0.177614D+01  0.164784D+02 -0.540664D+01  0.894499D+00 -0.504944D+01
      2  -0.388337D+00 -0.127832D+02  0.412392D+01 -0.148754D+01  0.421551D+01
      3  -0.138780D+01 -0.369524D+01  0.128272D+01  0.593043D+00  0.833933D+00
      4   0.513314D+01  0.108579D+01  0.612021D+01 -0.303866D+01  0.527303D+01
      5  -0.849851D+00  0.232073D+02 -0.616604D+01  0.621685D+01 -0.494388D+01
      6   0.105910D+01  0.251499D+01  0.233491D+01 -0.855197D-01  0.386609D+01
               106           107           108           109           110 
      1   0.272556D+02 -0.212233D+01  0.193652D+02  0.594779D+02  0.133805D+02
      2  -0.230458D+02  0.271684D+01 -0.232007D+02 -0.300594D+02 -0.490071D+01
      3  -0.420987D+01 -0.594518D+00  0.383553D+01 -0.294185D+02 -0.847978D+01
      4   0.265607D+01  0.884176D+01  0.404406D+01  0.257953D+02  0.129302D+02
      5   0.371468D+02  0.939966D+00  0.410833D+02 -0.224637D+02 -0.656986D+01
      6   0.400545D+01  0.409411D+01  0.511942D+01 -0.654004D+01 -0.305849D+01
               111           112           113           114           115 
      1  -0.173582D+02  0.114377D+02  0.435726D+01 -0.482879D+01 -0.347524D+02
      2   0.866373D+01 -0.323219D+01  0.181001D+01  0.146142D+01  0.183672D+02
      3   0.869443D+01 -0.820553D+01 -0.616727D+01  0.336737D+01  0.163851D+02
      4  -0.916564D+01  0.156335D+02  0.104212D+02 -0.810421D+01 -0.181190D+02
      5   0.189983D+02 -0.682945D+01 -0.726947D+01  0.425648D+01  0.297431D+02
      6   0.422984D+01 -0.408604D+01 -0.271097D+01  0.364063D+01  0.781729D+01
               116           117           118           119           120 
      1  -0.901994D+01  0.190302D+02  0.455766D+00 -0.271121D+00  0.236112D+01
      2   0.308592D+01 -0.138017D+02 -0.354585D+01  0.148492D+00  0.274117D+00
      3   0.593402D+01 -0.522856D+01  0.309009D+01  0.122629D+00 -0.263524D+01
      4  -0.138852D+02  0.102308D+02 -0.132670D+01  0.243662D+01  0.481364D+00
      5   0.719920D+01 -0.214757D+02  0.108768D+01 -0.250978D+00  0.577314D+01
      6   0.441207D+01 -0.646887D+01 -0.278122D+00 -0.785377D-01 -0.578566D-01
               121           122           123           124           125 
      1   0.120966D+01 -0.532933D+01  0.456250D+01  0.249808D+00  0.192012D+01
      2   0.686426D-01  0.101679D+01  0.617448D+00 -0.397250D+00  0.244175D+01
      3  -0.127830D+01  0.431254D+01 -0.517994D+01  0.147442D+00 -0.436188D+01
      4   0.223720D+01 -0.107663D+01  0.121002D+01  0.130069D+00  0.397344D+01
      5  -0.468854D+00  0.979359D+00 -0.281857D+01  0.542899D+01 -0.174406D+01
      6  -0.381812D+00 -0.232988D+01  0.612945D+01 -0.270110D+00  0.443943D+01
               126           127           128           129           130 
      1  -0.216527D+02 -0.232139D-01  0.617387D+01 -0.392764D+01  0.418877D+01
      2  -0.119865D+02  0.139982D+00 -0.799863D+01  0.361274D+01 -0.405651D+01
      3   0.336391D+02 -0.116769D+00  0.182476D+01  0.314900D+00 -0.132254D+00
      4  -0.287371D+01 -0.148725D+01  0.117992D+01 -0.232301D+01  0.319494D+01
      5   0.112896D+02 -0.123936D+01 -0.785072D-01  0.732176D-01  0.982175D-01
      6  -0.135374D+00 -0.474598D+01  0.241355D+01 -0.295391D+01  0.620455D+00
               131           132           133           134           135 
      1  -0.190977D+02  0.788248D+01 -0.699867D+01  0.147533D+02 -0.153943D+02
      2   0.264084D+02 -0.107154D+02  0.440540D+01 -0.197050D+02  0.144189D+02
      3  -0.731065D+01  0.283296D+01  0.259327D+01  0.495171D+01  0.975477D+00
      4   0.999407D+01 -0.394853D+01 -0.480400D+01 -0.825811D+01  0.612818D+01
      5  -0.552364D+01  0.611786D+01  0.680079D+00  0.862550D+01 -0.106341D+02
      6  -0.954957D+01  0.119964D+02 -0.141577D+00  0.162954D+02 -0.157246D+02
               136           137           138           139           140 
      1   0.609703D+01  0.582161D+01  0.342798D+01  0.327223D+01 -0.277177D+02
      2  -0.479342D+01 -0.426722D+01 -0.144159D+01 -0.659692D+00  0.343869D+02
      3  -0.130361D+01 -0.155440D+01 -0.198639D+01 -0.261254D+01 -0.666925D+01
      4   0.411795D+01  0.598839D+01  0.450144D+01  0.889559D+01  0.227821D+02
      5   0.247213D+01  0.342568D+01  0.408304D+01  0.406810D+01  0.116992D+02
      6   0.376315D+01 -0.404164D+00 -0.797021D+00  0.417580D+01  0.272776D+02
               141           142           143           144           145 
      1  -0.135211D+02 -0.295280D+01 -0.233055D+02 -0.218689D+02 -0.198313D+01
      2   0.135632D+02  0.492330D+01  0.212981D+02  0.130948D+02 -0.109213D+01
      3  -0.420460D-01 -0.197050D+01  0.200740D+01  0.877412D+01  0.307526D+01
      4   0.115647D+02  0.103922D+02  0.187861D+02  0.140469D+02  0.676949D+00
      5   0.955830D+01  0.747954D+01  0.153467D+02  0.141902D+02 -0.293983D+01
      6   0.208883D+02  0.630188D+01  0.305581D+02  0.267666D+02 -0.756699D+00
               146           147           148           149           150 
      1   0.129566D+01 -0.593784D+01  0.281290D+01 -0.947673D+01  0.100156D+02
      2   0.106326D+01  0.898366D+00 -0.102963D+01 -0.101775D+01  0.700447D+01
      3  -0.235893D+01  0.503948D+01 -0.178327D+01  0.104945D+02 -0.170201D+02
      4   0.370506D+00  0.122538D+01  0.215845D+00  0.156587D+02 -0.918526D+01
      5  -0.256957D+00  0.353071D+01 -0.271234D+01 -0.731125D+01  0.115991D+02
      6   0.262333D+01 -0.155864D+01  0.145153D+01 -0.160438D+02  0.108839D+02
               151           152           153           154           155 
      1  -0.335338D+01  0.709029D+01 -0.998802D+01  0.273587D+02 -0.716668D+01
      2   0.120292D+01  0.437155D+01 -0.735187D+01 -0.199822D+02  0.395904D+01
      3   0.215046D+01 -0.114618D+02  0.173399D+02 -0.737652D+01  0.320764D+01
      4   0.102641D+01 -0.693651D+01  0.684182D+01 -0.216642D+02  0.145553D+02
      5   0.459609D+01  0.539851D+01 -0.819399D+01 -0.382804D+02  0.142062D+02
      6  -0.132685D+01  0.105875D+02 -0.877525D+01  0.124685D+02 -0.868665D+01
               156           157           158           159           160 
      1  -0.898155D+01 -0.729476D+01  0.816823D+00  0.206680D-01 -0.673309D+01
      2   0.145221D+02  0.407883D+01 -0.454300D+00 -0.210934D+01  0.113877D+02
      3  -0.554051D+01  0.321593D+01 -0.362523D+00  0.208867D+01 -0.465466D+01
      4   0.120892D+02  0.135341D+02 -0.111421D+02 -0.101232D+02  0.819075D+01
      5   0.303163D+02  0.134860D+02 -0.112807D+02 -0.110331D+02  0.217344D+02
      6  -0.983327D+01 -0.794729D+01  0.827483D+01  0.100170D+02 -0.714594D+01
               161           162           163           164           165 
      1   0.294735D+00  0.255493D+01 -0.112386D+02 -0.135944D+02 -0.134080D+02
      2  -0.200717D+01 -0.105622D+02  0.562693D+01  0.937994D+01  0.220911D+01
      3   0.171244D+01  0.800730D+01  0.561167D+01  0.421444D+01  0.111989D+02
      4  -0.592560D+01 -0.833711D+01  0.161080D+01 -0.491752D+00  0.570505D+00
      5  -0.825336D+01 -0.208067D+02  0.650992D+01  0.458990D+01  0.158214D+01
      6   0.717636D+01  0.800413D+01  0.861491D+01  0.107520D+02  0.745691D+01
               166           167           168           169           170 
      1  -0.111502D+02 -0.167914D+02 -0.927574D+01 -0.681280D+01 -0.512786D+01
      2   0.803278D+01  0.123486D+02  0.280801D+01  0.117356D+01  0.785943D+00
      3   0.311737D+01  0.444277D+01  0.646773D+01  0.563923D+01  0.434191D+01
      4   0.150619D+01 -0.275884D+01 -0.356914D+01  0.981474D+00 -0.170029D+01
      5   0.633295D+01  0.387764D+00 -0.186370D+01  0.411738D+01  0.195517D+00
      6   0.663165D+01  0.128506D+02  0.110904D+02  0.388162D+01  0.761547D+01
               171           172           173           174           175 
      1  -0.768303D+01 -0.142791D+02 -0.253575D+02 -0.958488D+00 -0.155607D+02
      2   0.225822D+00  0.162229D+02  0.291302D+02  0.896636D+00  0.153905D+02
      3   0.745721D+01 -0.194381D+01 -0.377268D+01  0.618521D-01  0.170238D+00
      4  -0.532508D+00  0.420675D+01 -0.110180D+00  0.252409D+01  0.571407D+01
      5   0.867168D+00 -0.441212D+01 -0.153454D+01 -0.181629D+01 -0.216750D+01
      6   0.557943D+01  0.283890D+00 -0.371273D+01  0.524210D+01 -0.141331D+01
               176           177           178           179           180 
      1  -0.278177D+02 -0.590189D+00 -0.337630D+01 -0.261037D+01 -0.500326D+01
      2   0.380422D+02  0.206260D+01  0.137144D+01  0.594807D+01  0.314143D+01
      3  -0.102245D+02 -0.147241D+01  0.200486D+01 -0.333771D+01  0.186183D+01
      4  -0.804486D+01 -0.749218D+00  0.311377D+01 -0.398136D+01 -0.500949D+00
      5  -0.329667D+01 -0.183025D+01  0.443021D+00 -0.175541D+01  0.185053D+01
      6  -0.280306D+01  0.501793D+01  0.223349D+01  0.543498D+01 -0.742566D+00
               181           182           183           184           185 
      1   0.437428D+02 -0.181857D+02 -0.768016D+01 -0.152184D+02  0.515152D+01
      2  -0.716375D+01 -0.329039D+01  0.131413D+01 -0.225378D+01  0.117742D+02
      3  -0.365791D+02  0.214761D+02  0.636602D+01  0.174722D+02 -0.169257D+02
      4  -0.522241D+02  0.359631D+02  0.739308D+01  0.289943D+02 -0.264970D+02
      5  -0.347155D+01  0.939656D+00  0.980715D+01  0.181932D+01 -0.298119D+01
      6   0.343192D+01 -0.157197D+01 -0.699313D+01 -0.164743D+01  0.244404D+01
               186           187           188           189           190 
      1   0.118500D+01 -0.113844D+02  0.280469D+01  0.542287D+01  0.370962D+01
      2   0.264685D+01 -0.415591D+00  0.570545D+01 -0.247716D+01 -0.213677D+01
      3  -0.383185D+01  0.118000D+02 -0.851013D+01 -0.294570D+01 -0.157284D+01
      4  -0.609007D+01  0.175975D+02 -0.155100D+02 -0.939725D+01 -0.698697D+01
      5  -0.311955D+01  0.984030D+01 -0.569351D+01 -0.424596D+01  0.715727D+01
      6   0.361787D+01 -0.751612D+01  0.464304D+01  0.324767D+01 -0.297135D+01
               191           192           193           194           195 
      1  -0.433141D+01  0.435002D+01 -0.141204D+00 -0.218062D+01  0.237151D+01
      2   0.236903D+01 -0.449723D+01 -0.421546D+00  0.353520D-02 -0.432003D+01
      3   0.196238D+01  0.147213D+00  0.562750D+00  0.217708D+01  0.194852D+01
      4   0.473954D+01 -0.283774D+01  0.246361D+01  0.119667D+01  0.309703D+01
      5  -0.131987D+01  0.103616D+02  0.142255D+01  0.318529D+01  0.263575D+01
      6   0.490684D+00 -0.355594D+01  0.295288D+00 -0.140342D+01  0.440826D+01
               196           197           198           199           200 
      1   0.384570D+01  0.447039D+01 -0.977754D+01 -0.835787D+00 -0.839671D+00
      2  -0.627697D+01 -0.454611D+01 -0.165005D+02  0.152076D+01  0.668274D+00
      3   0.243127D+01  0.757209D-01  0.262781D+02 -0.684968D+00  0.171397D+00
      4  -0.591196D+01  0.820360D+01 -0.891511D+01  0.123580D+00  0.137356D+01
      5   0.155226D+02 -0.648168D+01  0.427000D+02  0.165389D+00 -0.474189D+00
      6  -0.747008D+01  0.973450D+01 -0.290961D+02 -0.666203D+00  0.225662D+00
               201           202           203           204           205 
      1   0.722198D+00 -0.230579D+01 -0.190035D+01  0.542734D+01  0.645152D+01
      2  -0.609543D+00 -0.214791D+01  0.105612D+01 -0.296109D+01 -0.327892D+01
      3  -0.112655D+00  0.445370D+01  0.844226D+00 -0.246626D+01 -0.317259D+01
      4  -0.739043D+00  0.650627D+00 -0.140802D+01  0.208125D+01 -0.392423D+00
      5   0.202478D+01 -0.452409D+00  0.110374D+01 -0.759011D+00  0.138055D+01
      6   0.122268D+00  0.802860D+00 -0.382329D+01  0.379564D+01  0.802248D+00
               206           207           208           209           210 
      1   0.665921D+01 -0.130518D+02  0.210294D+01  0.255170D+01 -0.571230D+01
      2  -0.459142D+01  0.140554D+01 -0.302800D+01 -0.138507D+01  0.208748D+01
      3  -0.206778D+01  0.116463D+02  0.925056D+00 -0.116663D+01  0.362482D+01
      4   0.195642D+01 -0.307740D+01  0.265602D+01  0.126641D+01 -0.159890D+01
      5  -0.196286D+01  0.440258D+01 -0.497813D+01 -0.173132D+01  0.413560D+01
      6   0.491895D+01 -0.732477D+01 -0.180319D+01  0.249719D+00  0.333769D+00
               211           212           213           214           215 
      1   0.261411D+01 -0.478336D+01  0.427431D+01 -0.185249D+01  0.474944D+01
      2  -0.441352D+01  0.859281D+00  0.157759D+01  0.332880D+01  0.345819D+00
      3   0.179941D+01  0.392408D+01 -0.585190D+01 -0.147631D+01 -0.509526D+01
      4  -0.228751D+01  0.156401D+01 -0.267114D+01 -0.358362D+01 -0.371261D+01
      5  -0.509343D+01 -0.363702D+01  0.682700D+01  0.722981D+01  0.570759D+01
      6   0.119592D+01 -0.313545D+01  0.466938D+01  0.251673D+01  0.614132D+01
               216           217           218           219           220 
      1  -0.192167D+02  0.180892D+02 -0.634839D+01 -0.690132D+01 -0.186310D+02
      2  -0.729989D+01 -0.127185D+02  0.390894D+01  0.539281D+01  0.125409D+02
      3   0.265166D+02 -0.537069D+01  0.243945D+01  0.150851D+01  0.609014D+01
      4   0.434594D+01 -0.709197D+01  0.359800D+01  0.514744D+01  0.135750D+02
      5  -0.208171D+02 -0.883125D+01  0.585983D+01  0.114956D+02  0.167121D+02
      6  -0.650445D+01  0.264101D+01 -0.422448D+00 -0.812507D+00 -0.478114D+01
               221           222           223           224           225 
      1   0.194884D+01  0.547966D+01 -0.246778D+02 -0.864012D+00  0.105883D+02
      2  -0.201583D+01 -0.986306D+01  0.194829D+02 -0.489117D+01 -0.232923D+02
      3   0.669982D-01  0.438340D+01  0.519491D+01  0.575518D+01  0.127040D+02
      4  -0.127598D+02 -0.198549D+02  0.417522D+01 -0.182725D+02 -0.162596D+02
      5  -0.186407D+02 -0.256422D+02  0.361188D+02 -0.146849D+02 -0.587005D+02
      6   0.562926D+01  0.883490D+01 -0.277754D+01  0.701232D+01  0.669250D+01
               226           227           228           229           230 
      1   0.100141D+03  0.169694D+01  0.236805D+02 -0.601378D+01  0.926466D+01
      2  -0.478504D+02  0.325148D+00 -0.103351D+02  0.412760D+01 -0.282927D+01
      3  -0.522907D+02 -0.202209D+01 -0.133454D+02  0.188618D+01 -0.643538D+01
      4   0.626583D+01  0.124876D+02  0.271559D+01  0.143139D+02  0.302486D+01
      5   0.195667D+02  0.177605D+01  0.165786D+02  0.577196D+00  0.161428D+01
      6   0.310664D+01 -0.145336D+00  0.160106D+01  0.197080D+00 -0.630353D+00
               231           232           233           234           235 
      1   0.345847D+00  0.489718D+02  0.244026D+01  0.200557D+02  0.465614D+01
      2  -0.935130D+00 -0.233351D+02 -0.120293D+01 -0.113021D+02 -0.108993D+01
      3   0.589283D+00 -0.256367D+02 -0.123732D+01 -0.875361D+01 -0.356622D+01
      4   0.199386D+01  0.491499D+01  0.665371D+01  0.242145D+00  0.345981D+01
      5  -0.271166D+01  0.232510D+02 -0.312561D+00  0.158935D+02  0.281006D+01
      6   0.219511D+01  0.248061D+01  0.171649D+01  0.253774D+01 -0.212732D+01
               236           237           238           239           240 
      1   0.861089D+01  0.452881D+00  0.216669D+02 -0.871740D+01  0.281055D+01
      2  -0.589128D+01 -0.160534D-01 -0.590059D+01  0.227685D+02 -0.497183D+01
      3  -0.271962D+01 -0.436828D+00 -0.157663D+02 -0.140511D+02  0.216128D+01
      4  -0.274339D+00  0.163189D+01  0.233712D+02  0.613465D+02 -0.216265D+02
      5   0.943621D+00 -0.107731D-01 -0.956339D+01 -0.200828D+02  0.144337D+02
      6   0.138234D+01 -0.154906D+01 -0.520848D+01 -0.174687D+02  0.111009D+02
               241           242           243 
      1  -0.704400D+01  0.318448D+01  0.196576D+01
      2   0.410198D+01 -0.287006D+01 -0.164005D+01
      3   0.294202D+01 -0.314419D+00 -0.325710D+00
      4  -0.452498D+01 -0.160639D+02  0.117969D+02
      5   0.143863D+02  0.120938D+02 -0.177922D+02
      6   0.238545D+01  0.993704D+01 -0.613917D+01
 Leave Link  716 at Thu Aug 12 21:15:55 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.177286D+03  0.603415D+01 -0.230375D+01
      2   0.603415D+01  0.109423D+03 -0.302418D+01
      3  -0.230375D+01 -0.302418D+01  0.114009D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.481820D+01 -0.685493D+01 -0.738866D+01
      2   0.353363D+02 -0.118452D+02 -0.507666D+01
      3  -0.276034D+02  0.404364D+02  0.155895D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.100979D+03  0.279399D+02 -0.143157D+01
      2  -0.802644D+02 -0.397333D+00  0.232511D+01
      3  -0.207145D+02 -0.275426D+02 -0.893531D+00
      4   0.369459D+02 -0.970195D+02 -0.349730D+02
      5  -0.251023D+02 -0.343490D+02 -0.937107D+01
      6  -0.168511D+02 -0.274993D+02  0.109528D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.415909D+01 -0.448645D+01 -0.438604D+01 -0.499588D+01 -0.167236D+01
      2  -0.448645D+01 -0.184747D+01  0.785637D+00 -0.167236D+01  0.161939D+01
      3  -0.438604D+01  0.785637D+00  0.145926D+01  0.109918D+01 -0.405680D+01
                 6             7             8             9            10 
      1   0.109918D+01 -0.326798D+01  0.116295D+01  0.147995D+01 -0.288054D+02
      2  -0.405680D+01  0.116295D+01 -0.329827D+01  0.512463D+00  0.748847D+01
      3   0.998634D+00  0.147995D+01  0.512463D+00  0.310732D+01  0.346651D+01
                11            12            13            14            15 
      1   0.748847D+01  0.346651D+01  0.122488D+02 -0.120456D+01 -0.148845D+01
      2   0.147617D+01 -0.574453D+00 -0.120456D+01  0.103126D+01  0.295966D+01
      3  -0.574453D+00 -0.174352D+01 -0.148845D+01  0.295966D+01 -0.949594D-01
                16            17            18            19            20 
      1   0.170955D+02 -0.217372D+01 -0.255654D+01  0.570945D+02 -0.666505D-01
      2  -0.217372D+01  0.406122D+01  0.560720D+00 -0.666505D-01  0.460796D+01
      3  -0.255654D+01  0.560720D+00 -0.468091D+01  0.315149D+00  0.129490D+01
                21            22            23            24            25 
      1   0.315149D+00 -0.541306D+01  0.100226D+02  0.329140D+01 -0.543160D+01
      2   0.129490D+01  0.100226D+02  0.125749D+01 -0.494291D+00  0.254684D+01
      3   0.659117D+00  0.329140D+01 -0.494291D+00 -0.291991D+01  0.955230D+00
                26            27            28            29            30 
      1   0.254684D+01  0.955230D+00 -0.701845D+02 -0.344443D+01 -0.101176D+01
      2  -0.105383D+01 -0.245939D+01 -0.344443D+01 -0.324819D+01 -0.689748D+00
      3  -0.245939D+01  0.507438D+01 -0.101176D+01 -0.689748D+00 -0.163568D+01
                31            32            33            34            35 
      1  -0.119771D+02 -0.627042D+01 -0.210955D+01  0.879628D+01 -0.343245D+00
      2  -0.627042D+01 -0.318814D+01 -0.383135D+00 -0.343245D+00  0.458252D+00
      3  -0.210955D+01 -0.383135D+00  0.160326D+01 -0.223864D+01  0.180901D+01
                36            37            38            39            40 
      1  -0.223864D+01  0.613264D+02  0.310053D+01  0.352781D+01  0.136650D+02
      2   0.180901D+01  0.310053D+01  0.173982D+01  0.739488D+00  0.469955D+01
      3  -0.346452D+01  0.352781D+01  0.739488D+00  0.137393D+01  0.142777D+01
                41            42            43            44            45 
      1   0.469955D+01  0.142777D+01 -0.123531D+02 -0.665271D+00  0.393783D+01
      2   0.255250D+01 -0.623366D+00 -0.665271D+00 -0.139414D+01 -0.196250D+01
      3  -0.623366D+00 -0.210433D+01  0.393783D+01 -0.196250D+01  0.282140D+01
                46            47            48            49            50 
      1  -0.193230D+02 -0.691886D+00 -0.310014D+01  0.762423D+01  0.682884D+00
      2  -0.691886D+00  0.786636D+00  0.172048D+00  0.682884D+00  0.731413D+00
      3  -0.310014D+01  0.172048D+00  0.368907D+00  0.349532D+01 -0.820554D+00
                51            52            53            54            55 
      1   0.349532D+01 -0.308892D+02  0.126353D+01 -0.959990D+01  0.571441D+01
      2  -0.820554D+00  0.126353D+01  0.658033D-01  0.109656D+01 -0.760350D+00
      3   0.189345D+01 -0.959990D+01  0.109656D+01 -0.634582D+01  0.268927D+01
                56            57            58            59            60 
      1  -0.760350D+00  0.268927D+01 -0.106532D+02  0.214134D+01 -0.330713D+01
      2   0.363333D+00 -0.498226D+00  0.214134D+01 -0.205667D+01  0.298628D+01
      3  -0.498226D+00  0.117061D+01 -0.330713D+01  0.298628D+01 -0.181388D+01
                61            62            63            64            65 
      1   0.308117D+02 -0.610430D+00  0.110337D+02  0.920522D+01 -0.607785D+01
      2  -0.610430D+00  0.153843D+01 -0.141382D+01 -0.607785D+01 -0.144346D+01
      3   0.110337D+02 -0.141382D+01  0.113276D+02 -0.183138D+01  0.984215D+00
                66            67            68            69            70 
      1  -0.183138D+01 -0.618306D+01 -0.888343D+00  0.119924D+01 -0.641899D+01
      2   0.984215D+00 -0.888343D+00 -0.100415D+01 -0.256090D+01  0.168014D+01
      3   0.132343D+01  0.119924D+01 -0.256090D+01  0.119278D+01  0.172626D+01
                71            72            73            74            75 
      1   0.168014D+01  0.172626D+01  0.789953D+00  0.962237D+00 -0.119821D+01
      2  -0.308701D+01 -0.465233D-01  0.962237D+00 -0.399990D+01 -0.189405D+01
      3  -0.465233D-01  0.671901D+01 -0.119821D+01 -0.189405D+01  0.309607D+01
                76            77            78            79            80 
      1   0.155117D+01 -0.451104D+01 -0.277669D+01 -0.211422D+01 -0.260481D+01
      2  -0.451104D+01 -0.298336D+01 -0.117145D+01 -0.260481D+01 -0.152306D+01
      3  -0.277669D+01 -0.117145D+01 -0.690295D+00  0.474936D+01 -0.174594D+00
                81            82            83            84            85 
      1   0.474936D+01 -0.119316D+02 -0.759141D+01 -0.154586D+01 -0.840899D+01
      2  -0.174594D+00 -0.759141D+01 -0.211373D+01  0.869064D+00 -0.446904D+01
      3   0.227294D+01 -0.154586D+01  0.869064D+00 -0.572021D+00  0.480975D+00
                86            87            88            89            90 
      1  -0.446904D+01  0.480975D+00  0.732906D+01  0.237042D+01  0.402158D-01
      2   0.174582D+01  0.123435D+01  0.237042D+01  0.249392D+01  0.483695D+01
      3   0.123435D+01  0.358030D+01  0.402158D-01  0.483695D+01 -0.440759D+00
                91            92            93            94            95 
      1  -0.220627D+01  0.150973D+01 -0.477703D+01  0.262111D+01 -0.577598D+00
      2   0.150973D+01  0.108982D+01 -0.108390D+01 -0.577598D+00 -0.442634D+01
      3  -0.477703D+01 -0.108390D+01 -0.111790D+01 -0.906333D+00  0.352419D+01
                96            97            98            99           100 
      1  -0.906333D+00 -0.750683D+01 -0.833692D+00 -0.384100D+01 -0.474762D+01
      2   0.352419D+01 -0.833692D+00  0.283242D+01  0.100278D+01 -0.236886D+00
      3   0.160005D+01 -0.384100D+01  0.100278D+01  0.435218D+01 -0.255653D+01
               101           102           103           104           105 
      1  -0.236886D+00 -0.255653D+01  0.751872D+00 -0.543932D+00  0.720282D+00
      2  -0.453600D+00  0.108993D+00 -0.543932D+00  0.470500D+00 -0.637977D+00
      3   0.108993D+00 -0.246105D+01  0.720282D+00 -0.637977D+00  0.688742D+00
               106           107           108           109           110 
      1  -0.429073D+01  0.235063D+00 -0.416516D+01 -0.765799D+01 -0.200428D+01
      2   0.235063D+00 -0.139116D+01 -0.137303D+00 -0.200428D+01 -0.104680D+01
      3  -0.416516D+01 -0.137303D+00 -0.521992D+01  0.258343D+01  0.795471D+00
               111           112           113           114           115 
      1   0.258343D+01 -0.153989D+01 -0.146150D+01  0.886730D+00  0.537011D+01
      2   0.795471D+00 -0.146150D+01 -0.110113D+01  0.849611D+00  0.157860D+01
      3  -0.210627D+01  0.886730D+00  0.849611D+00 -0.543859D+00 -0.355763D+01
               116           117           118           119           120 
      1   0.157860D+01 -0.355763D+01  0.139082D+00  0.458181D+00 -0.891039D+00
      2   0.157811D+01 -0.857582D+00  0.458181D+00 -0.290805D+00 -0.221739D+00
      3  -0.857582D+00  0.262559D+01 -0.891039D+00 -0.221739D+00  0.326037D+00
               121           122           123           124           125 
      1   0.174038D+01 -0.645217D+00 -0.752972D-01 -0.106928D+01 -0.561204D-02
      2  -0.645217D+00  0.592870D+00 -0.100613D+01 -0.561204D-02 -0.147466D+01
      3  -0.752972D-01 -0.100613D+01  0.144893D+01 -0.252352D+00  0.936244D+00
               126           127           128           129           130 
      1  -0.252352D+00  0.988634D+00 -0.980698D-01  0.678991D+00  0.488940D+00
      2   0.936244D+00 -0.980698D-01  0.122101D+01 -0.532820D+00  0.381247D+00
      3  -0.696946D+01  0.678991D+00 -0.532820D+00  0.620149D+00 -0.240086D+00
               131           132           133           134           135 
      1   0.381247D+00 -0.240086D+00  0.116278D+01 -0.246752D+00  0.919270D-01
      2  -0.419744D+01  0.179475D+01 -0.246752D+00  0.347468D+01 -0.277825D+01
      3   0.179475D+01 -0.192333D+01  0.919270D-01 -0.277825D+01  0.343898D+01
               136           137           138           139           140 
      1   0.182222D+01 -0.297833D+00 -0.527711D+00  0.151192D+01 -0.821612D+00
      2  -0.297833D+00  0.331683D+00 -0.166786D-01 -0.821612D+00 -0.665947D+01
      3  -0.527711D+00 -0.166786D-01  0.106837D+00 -0.471361D+00 -0.328889D+01
               141           142           143           144           145 
      1  -0.471361D+00 -0.286412D+01 -0.141259D+01 -0.835918D+00  0.380162D+00
      2  -0.328889D+01 -0.141259D+01 -0.540871D+01 -0.432173D+01 -0.343590D+00
      3  -0.261358D+01 -0.835918D+00 -0.432173D+01 -0.406616D+01  0.966000D+00
               146           147           148           149           150 
      1  -0.343590D+00  0.966000D+00 -0.509735D+00  0.613253D+00 -0.941743D-01
      2   0.649333D+00 -0.308119D+00  0.613253D+00 -0.423984D+01  0.242091D+01
      3  -0.308119D+00  0.430658D+00 -0.941743D-01  0.242091D+01 -0.350674D+01
               151           152           153           154           155 
      1   0.705572D+00 -0.231001D+00  0.684639D-01 -0.684035D+01  0.255484D+01
      2  -0.231001D+00  0.198967D+01 -0.193767D+01  0.255484D+01 -0.169266D+01
      3   0.684639D-01 -0.193767D+01  0.279247D+01  0.387853D+01 -0.147292D+01
               156           157           158           159           160 
      1   0.387853D+01  0.194236D+01 -0.154096D+01 -0.132483D+01  0.156993D+01
      2  -0.147292D+01 -0.154096D+01  0.161181D+01  0.170951D+01 -0.954225D+00
      3  -0.366689D+01 -0.132483D+01  0.170951D+01  0.152858D+01 -0.243384D+01
               161           162           163           164           165 
      1  -0.954225D+00 -0.243384D+01  0.344486D+01  0.195233D+01  0.131842D+01
      2   0.996668D+00  0.108609D+01  0.195233D+01  0.243117D+01  0.120670D+01
      3   0.108609D+01  0.261803D+01  0.131842D+01  0.120670D+01  0.206356D+01
               166           167           168           169           170 
      1   0.153332D+01  0.160809D+01  0.627025D+00  0.265210D+00  0.468955D+00
      2   0.160809D+01  0.297741D+01  0.190714D+01  0.468955D+00  0.953407D+00
      3   0.627025D+00  0.190714D+01  0.179636D+01  0.807251D+00  0.925348D+00
               171           172           173           174           175 
      1   0.807251D+00  0.219346D+01  0.227174D+01  0.395641D+00  0.172209D+01
      2   0.925348D+00  0.227174D+01  0.433470D+01 -0.179572D+00  0.172154D+01
      3   0.121112D+01  0.395641D+00 -0.179572D+00  0.857309D+00  0.578359D-02
               176           177           178           179           180 
      1   0.172154D+01  0.578359D-02  0.776017D+00 -0.690787D-01  0.271455D+00
      2   0.550002D+01  0.217595D+00 -0.690787D-01  0.117870D+01  0.821720D+00
      3   0.217595D+00  0.628970D+00  0.271455D+00  0.821720D+00 -0.262534D+00
               181           182           183           184           185 
      1  -0.809145D+01  0.478339D+01  0.116214D+01  0.167703D+01 -0.276171D+01
      2   0.478339D+01 -0.342826D+01 -0.525693D+00 -0.276171D+01  0.322977D+01
      3   0.116214D+01 -0.525693D+00 -0.142023D+01 -0.714801D+00  0.732573D+00
               186           187           188           189           190 
      1  -0.714801D+00  0.362442D+01 -0.175363D+01 -0.149170D+01 -0.142887D+01
      2   0.732573D+00 -0.175363D+01  0.211315D+01  0.894660D+00  0.837919D+00
      3   0.444098D+00 -0.149170D+01  0.894660D+00  0.567234D+00 -0.997433D+00
               191           192           193           194           195 
      1   0.837919D+00 -0.997433D+00  0.352318D+00  0.259024D-01 -0.136107D+00
      2  -0.692254D-01  0.676328D-01  0.259024D-01 -0.145303D+00 -0.643911D+00
      3   0.676328D-01 -0.999774D+00 -0.136107D+00 -0.643911D+00 -0.513306D+00
               196           197           198           199           200 
      1  -0.131968D+01  0.441987D+00 -0.198719D+01 -0.144838D+01 -0.512847D+00
      2   0.441987D+00 -0.163180D+01  0.127159D+01 -0.512847D+00  0.272718D-02
      3  -0.198719D+01  0.127159D+01 -0.831508D+01  0.795141D+00 -0.586738D-01
               201           202           203           204           205 
      1   0.795141D+00 -0.137635D+01  0.103765D+01  0.407815D+00  0.205018D+01
      2  -0.586738D-01  0.103765D+01 -0.790710D+00  0.118102D+01  0.615931D+00
      3  -0.275005D-02  0.407815D+00  0.118102D+01 -0.131408D+01 -0.457702D+00
               206           207           208           209           210 
      1   0.615931D+00 -0.457702D+00  0.146049D+01  0.669914D+00 -0.118476D+01
      2   0.139762D+01 -0.132330D+01  0.669914D+00  0.598564D-01 -0.511659D-01
      3  -0.132330D+01  0.477167D+01 -0.118476D+01 -0.511659D-01 -0.248329D+00
               211           212           213           214           215 
      1   0.978395D+00 -0.213579D+00 -0.734280D+00 -0.187878D+01 -0.564039D+00
      2  -0.213579D+00  0.644816D+00 -0.101105D+01 -0.564039D+00 -0.128110D+01
      3  -0.734280D+00 -0.101105D+01  0.191795D+01  0.936880D+00  0.180113D+01
               216           217           218           219           220 
      1   0.936880D+00  0.309227D+01 -0.787145D+00 -0.560345D+00 -0.241818D+01
      2   0.180113D+01 -0.787145D+00  0.206215D+00  0.486094D+00  0.121986D+01
      3  -0.645144D+01 -0.560345D+00  0.486094D+00  0.768812D+00  0.152381D+01
               221           222           223           224           225 
      1   0.121986D+01  0.152381D+01 -0.397600D+01  0.241259D+00  0.357986D+01
      2  -0.137543D+01 -0.221490D+01  0.241259D+00 -0.214421D+01 -0.168836D+01
      3  -0.221490D+01 -0.290440D+01  0.357986D+01 -0.168836D+01 -0.676940D+01
               226           227           228           229           230 
      1   0.950738D+01  0.213011D+00  0.231828D+01 -0.634235D+00  0.121638D+01
      2   0.213011D+00  0.101306D+01  0.177886D+00  0.121638D+01  0.372540D+00
      3   0.231828D+01  0.177886D+00  0.161177D+01  0.105409D+00  0.985867D-01
               231           232           233           234           235 
      1   0.105409D+00  0.514658D+01  0.399580D+00  0.222063D+01  0.134720D+01
      2   0.985867D-01  0.399580D+00  0.600238D+00 -0.500670D-01  0.597386D+00
      3  -0.279420D+00  0.222063D+01 -0.500670D-01  0.153911D+01  0.472924D+00
               236           237           238           239           240 
      1   0.597386D+00  0.472924D+00  0.370073D+01  0.221157D+01 -0.891650D+00
      2  -0.679392D+00  0.419623D+00  0.221157D+01  0.783038D+01 -0.270282D+01
      3   0.419623D+00 -0.262062D+00 -0.891650D+00 -0.270282D+01  0.189999D+01
               241           242           243 
      1  -0.132289D+01 -0.537158D+00  0.151857D+01
      2  -0.537158D+00 -0.204432D+01  0.159584D+01
      3   0.151857D+01  0.159584D+01 -0.225305D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.591502D+01 -0.468258D+01  0.905961D+00 -0.369658D+01  0.716460D+01
      2   0.788753D+01  0.818936D+01  0.910574D+01  0.629916D+01  0.127279D+02
      3  -0.876419D+01 -0.939770D+01 -0.192371D+01 -0.451207D+01  0.120461D+01
                 6             7             8             9            10 
      1  -0.133161D+02 -0.686288D+00 -0.611683D+01  0.808908D+00 -0.263593D+01
      2  -0.406494D+01  0.501366D+00 -0.214994D+01 -0.794518D+01 -0.245844D+02
      3  -0.673618D+01 -0.830297D-02 -0.611269D+01  0.179619D+01  0.181269D+02
                11            12            13            14            15 
      1   0.252319D+01  0.105873D+01  0.436991D+01 -0.505889D+01 -0.377608D+01
      2   0.183678D+01  0.777969D+01  0.416294D+01 -0.102958D+02 -0.890909D+00
      3   0.453596D+01  0.250674D+01  0.149993D+02  0.699120D+01  0.682963D+01
                16            17            18            19            20 
      1   0.370235D+01  0.691621D+01  0.376933D+01  0.218637D+00 -0.138678D+01
      2   0.111972D+02 -0.157250D+01  0.104724D+02  0.328491D+02  0.972736D+00
      3  -0.582614D+01  0.776715D+01 -0.114671D-01 -0.254696D+02 -0.638006D+01
                21            22            23            24            25 
      1  -0.116492D+01 -0.879770D+01 -0.283398D+01 -0.310121D+01 -0.373974D+01
      2   0.302295D+01 -0.329569D+01  0.717760D+01  0.520169D+01 -0.170492D+02
      3  -0.882838D+00  0.524566D+00 -0.815830D+01 -0.222554D+01  0.183823D+00
                26            27            28            29            30 
      1   0.205914D+01  0.501857D+01  0.360446D+01 -0.656606D+00  0.406410D-01
      2   0.350839D+01 -0.346190D+01 -0.404337D+02 -0.378407D+01 -0.444537D+01
      3  -0.348568D+01 -0.179020D+01  0.212297D+02  0.680129D+01  0.153668D+01
                31            32            33            34            35 
      1   0.517647D+01  0.271678D+01 -0.227843D+01  0.297918D+01  0.176807D+00
      2  -0.135499D+02 -0.385563D+01 -0.116237D+01 -0.149532D+02 -0.173586D+01
      3   0.369217D+02  0.709416D+01  0.855782D-01  0.302409D+01  0.148830D+01
                36            37            38            39            40 
      1  -0.426967D+01 -0.226511D+01 -0.821897D+00 -0.628738D+00 -0.812772D+01
      2  -0.143032D+01  0.453948D+02  0.294556D+01  0.131767D+02  0.153036D+02
      3  -0.694330D-01 -0.173717D+02 -0.111080D+02 -0.165684D+01 -0.948472D+01
                41            42            43            44            45 
      1  -0.302888D+00 -0.517812D+01  0.187781D+01 -0.224431D+00 -0.963444D+00
      2   0.277516D+01 -0.154634D+01 -0.142553D+02 -0.381503D+01  0.637524D+01
      3  -0.586754D+01  0.442840D+00 -0.617307D+00 -0.152096D+01  0.100647D+01
                46            47            48            49            50 
      1  -0.202750D+00  0.241465D+01  0.273126D+01 -0.748490D+01  0.415893D+01
      2  -0.101288D+02 -0.267340D+01 -0.514929D+01  0.788385D+01 -0.203821D+01
      3   0.203146D+01  0.129207D+02  0.501288D+01  0.239502D+02  0.753270D+00
                51            52            53            54            55 
      1  -0.767520D+01  0.170521D+01 -0.380829D+01 -0.281459D+01  0.147929D+01
      2   0.776854D+01 -0.547897D+02  0.916122D+00 -0.300645D+02  0.169964D+01
      3   0.174893D+01  0.600488D+01  0.104297D+02 -0.143248D+01 -0.202514D+00
                56            57            58            59            60 
      1  -0.569428D+00 -0.616543D+00  0.436164D+00 -0.291911D+01 -0.157099D+01
      2  -0.142966D+01  0.792595D+01 -0.108828D+02  0.888446D+01 -0.942400D+01
      3  -0.774046D+01  0.142804D+00 -0.648657D+01  0.700418D+01 -0.790578D+01
                61            62            63            64            65 
      1  -0.123464D+01  0.898417D+01  0.673520D+00  0.878209D+01 -0.175297D+01
      2   0.346308D+02 -0.448345D+01  0.457328D+02  0.983256D+01 -0.683874D+01
      3  -0.546805D+01 -0.137110D+02  0.284235D+01 -0.119300D+02 -0.205568D+02
                66            67            68            69            70 
      1  -0.406486D+01 -0.163221D+01  0.766256D+01 -0.170293D+01 -0.775828D+01
      2  -0.232483D+01 -0.573479D+01  0.538791D+01 -0.189388D+01 -0.105220D+02
      3  -0.180158D+01 -0.901163D+01 -0.758148D+01 -0.427686D+01  0.991178D+00
                71            72            73            74            75 
      1   0.515167D+01 -0.161736D+02 -0.283053D+00 -0.179542D+01  0.368889D+01
      2   0.132314D+01 -0.159123D+02  0.486237D+01  0.815216D+01 -0.103409D+02
      3  -0.497375D+01  0.353722D+01  0.558246D+01 -0.219062D+02 -0.789053D+01
                76            77            78            79            80 
      1  -0.160613D+01 -0.410686D+00 -0.241332D+01  0.536639D+01  0.180972D+01
      2   0.107746D+02  0.299688D+01  0.733173D+00 -0.235312D+02 -0.187311D+01
      3  -0.139214D+02 -0.526085D+01 -0.242833D+01 -0.893624D+01 -0.167116D+01
                81            82            83            84            85 
      1   0.220466D+01  0.207751D+01  0.451048D+01 -0.197226D+01  0.614006D+01
      2  -0.596835D+01 -0.713242D+01 -0.711212D+01  0.176233D+01 -0.924828D+01
      3  -0.488684D+01 -0.409728D+01  0.832052D+01  0.330181D+01  0.213795D+02
                86            87            88            89            90 
      1   0.427103D+01  0.673674D+01 -0.313804D+01  0.157212D+02 -0.351370D+01
      2  -0.529253D+01 -0.559373D+01  0.823167D+00 -0.654038D+01  0.142820D+01
      3   0.984517D+01  0.451944D+00  0.316431D+01  0.128453D+00  0.100571D+02
                91            92            93            94            95 
      1   0.303319D+00 -0.242508D+01  0.108145D+01  0.738841D+01  0.308051D+01
      2  -0.199838D+02 -0.274971D+01 -0.472631D+01 -0.372026D+01  0.150627D+02
      3  -0.825571D+01 -0.107356D+02  0.244795D+01  0.160913D+02  0.215308D+02
                96            97            98            99           100 
      1  -0.841370D+01  0.530621D+01 -0.694677D+00 -0.415144D+01 -0.199037D+01
      2   0.798195D+01 -0.261531D+02  0.341670D+01  0.159136D+02  0.560816D+01
      3  -0.202688D+02  0.460792D+01 -0.111370D+02 -0.725054D+01  0.342664D+01
               101           102           103           104           105 
      1   0.111685D+01 -0.215808D+01  0.570928D+00 -0.115823D+01  0.266142D-01
      2  -0.878252D+00  0.912227D+01 -0.216074D+01  0.192614D+01 -0.224588D+01
      3  -0.257850D+01  0.278435D+01 -0.179406D+00  0.284687D+01 -0.260471D+01
               106           107           108           109           110 
      1  -0.345436D+01  0.299285D+01 -0.441869D+01  0.279162D+01 -0.100148D+00
      2   0.981249D+01  0.121833D+00  0.167925D+02 -0.100057D+02 -0.316617D+01
      3   0.478153D+01 -0.613033D+01  0.335967D+01  0.122609D+01 -0.437879D+01
               111           112           113           114           115 
      1  -0.268040D+01  0.162133D+01  0.537492D+00 -0.156489D+01 -0.309158D+01
      2   0.104008D+02 -0.358344D+01 -0.341622D+01  0.257233D+01  0.115262D+02
      3   0.256399D+00 -0.597012D+00 -0.254120D+01  0.202180D+01  0.762359D+00
               116           117           118           119           120 
      1   0.844196D+00  0.320027D+01 -0.793492D+00 -0.584898D-01  0.185520D+00
      2   0.286283D+01 -0.115753D+02  0.289662D+01  0.472732D+00  0.506771D+00
      3   0.562300D+01  0.526402D+00  0.333135D+00 -0.957278D+00  0.484603D+00
               121           122           123           124           125 
      1  -0.178777D+01 -0.165033D+01  0.267087D+00 -0.740629D+00  0.434156D+01
      2   0.927489D+00  0.645978D-01 -0.178297D+01 -0.374487D+01 -0.792386D+00
      3   0.275761D+01  0.478903D+00 -0.450504D+00  0.841948D+00 -0.103799D+01
               126           127           128           129           130 
      1  -0.373013D+01  0.233995D+01 -0.137214D+01  0.225931D+01 -0.107973D+01
      2   0.668129D+01 -0.951407D+00  0.115730D+01 -0.823307D-01  0.178303D+01
      3   0.110290D+01 -0.249030D+01  0.951441D+00 -0.270918D+01  0.203149D+01
               131           132           133           134           135 
      1   0.495100D+01 -0.660575D+01  0.766279D+00 -0.553005D+01  0.112952D+02
      2  -0.286314D+01  0.309090D+01 -0.168974D+01  0.466504D+01 -0.572367D+01
      3  -0.834424D+01  0.399239D+01 -0.448546D+01  0.679431D+01 -0.613712D+01
               136           137           138           139           140 
      1  -0.170157D+01 -0.585799D+00  0.297076D+00 -0.501230D+00 -0.234617D+01
      2   0.206654D+01  0.735946D-01  0.483783D+00  0.454229D+00  0.512870D+01
      3  -0.182779D+01  0.153016D+00  0.105189D+01  0.147113D+01 -0.113769D+02
               141           142           143           144           145 
      1  -0.637964D+01  0.214888D+00 -0.439607D+01 -0.769785D+01 -0.146577D+01
      2   0.452930D+01 -0.241737D+01  0.654087D+01  0.644737D+01 -0.426742D+01
      3  -0.531536D+01  0.237484D+01 -0.821700D+01 -0.730956D+01 -0.651483D+00
               146           147           148           149           150 
      1   0.241143D+01 -0.613139D+00  0.202656D+01 -0.132093D+02  0.430146D+01
      2   0.176620D+01 -0.169135D+01  0.358830D+01 -0.685978D+01  0.732311D+01
      3   0.450841D+00  0.114078D-01  0.277232D+01 -0.693914D+01  0.392127D+01
               151           152           153           154           155 
      1  -0.542686D+00  0.684216D+01 -0.478838D+01  0.203831D+01 -0.330254D+01
      2  -0.322803D+01  0.466406D+01 -0.568415D+01  0.444037D+01 -0.137431D+01
      3  -0.602722D+00  0.306864D+01 -0.328913D+01  0.636960D+00 -0.398132D+01
               156           157           158           159           160 
      1   0.824589D+00 -0.189197D+01  0.193900D+01  0.548476D+00 -0.577665D+00
      2   0.385805D+01 -0.267707D+01 -0.120503D+01 -0.155977D+01 -0.240348D+01
      3  -0.726253D+00 -0.609337D+00  0.298947D+01  0.254335D+01  0.465945D+00
               161           162           163           164           165 
      1   0.276346D+01 -0.313955D+00  0.268377D+01  0.467923D+01 -0.609057D+00
      2  -0.606032D-01 -0.143788D+01 -0.129470D+02 -0.716700D+01 -0.527525D+01
      3   0.205828D+01  0.456546D+00  0.885612D+01  0.479144D+01  0.330959D+01
               166           167           168           169           170 
      1   0.273654D+01  0.438230D+01  0.121908D+00  0.337830D+00  0.264216D+01
      2  -0.669536D+01 -0.788623D+01 -0.403358D+01 -0.439054D+01 -0.311339D+01
      3   0.667289D+01  0.625326D+01  0.427654D+01  0.138433D+01  0.184006D+01
               171           172           173           174           175 
      1   0.710555D+00 -0.248017D+01 -0.190104D+01 -0.329014D+01 -0.133462D+01
      2  -0.399983D+01  0.109060D+01  0.194146D+01 -0.280220D-02  0.137478D+01
      3   0.284279D+01  0.151363D+02  0.148692D+02  0.731445D+00  0.108215D+02
               176           177           178           179           180 
      1  -0.368534D+01 -0.354695D+01 -0.760756D+00 -0.843990D+00 -0.192249D-01
      2   0.112412D+01 -0.533527D+00 -0.113803D+01 -0.171016D+01  0.803870D+00
      3   0.182712D+02  0.609016D+00  0.151868D+01  0.275608D+01  0.283631D+01
               181           182           183           184           185 
      1  -0.525931D+01  0.289919D+01  0.482200D+01  0.323629D+01 -0.339713D+01
      2  -0.689242D+01  0.384811D+01  0.692679D+01  0.280430D+01 -0.350763D+01
      3  -0.259530D+01 -0.295524D+01  0.140514D+01  0.193166D+01  0.414322D+01
               186           187           188           189           190 
      1  -0.291120D+01  0.380381D+01 -0.140819D+01 -0.202905D+01  0.140645D+01
      2  -0.265154D+01  0.467670D+01 -0.277272D+01 -0.282914D+01  0.151272D+01
      3   0.588997D+00  0.900471D-01  0.355730D+01 -0.506312D+00  0.684394D+00
               191           192           193           194           195 
      1   0.153568D+00  0.227380D+01 -0.131001D+00  0.200528D+01  0.458708D+00
      2   0.163508D+00  0.256290D+01  0.158891D+00  0.155085D+01  0.125158D+01
      3   0.297936D+00 -0.146254D+01  0.930708D+00 -0.432384D+00 -0.157253D+01
               196           197           198           199           200 
      1   0.374045D+01  0.248123D+01  0.173906D+02 -0.136223D+00  0.554140D+00
      2   0.848948D+00 -0.249481D+01  0.192172D+02 -0.109286D+01 -0.505822D+00
      3  -0.190850D+01 -0.391924D+01  0.608058D+00  0.117687D+01 -0.663138D-01
               201           202           203           204           205 
      1  -0.174768D+00  0.492690D+01 -0.139484D+00 -0.139997D+01  0.920692D+00
      2  -0.535936D+00  0.180677D+01  0.189987D+01  0.222978D-01 -0.426111D+01
      3  -0.534761D+00  0.467696D+00  0.331455D+00 -0.898551D+00 -0.282267D+01
               206           207           208           209           210 
      1   0.247374D+01  0.401625D+01 -0.165445D+01 -0.180014D-01 -0.458408D-01
      2   0.709289D+00  0.339921D+01 -0.132270D+01  0.473609D+00 -0.845081D+00
      3  -0.163453D+01  0.353197D+00 -0.311337D+01 -0.729374D+00 -0.741662D-01
               211           212           213           214           215 
      1   0.649717D+01 -0.708523D+00  0.263598D+00  0.226364D+01  0.433677D+01
      2  -0.169549D+01 -0.215519D+01  0.301349D+01 -0.302975D+01  0.282108D+01
      3   0.101637D+02 -0.401993D+00  0.242142D+01  0.365865D+01  0.316790D+01
               216           217           218           219           220 
      1  -0.207598D+00  0.225074D+00 -0.541512D+00 -0.885626D+00 -0.264705D+01
      2  -0.107020D+02  0.478741D+00  0.139737D+01  0.395530D+01  0.492468D+01
      3  -0.347882D+01  0.136763D+01 -0.266551D+01 -0.212453D+01 -0.869688D+01
               221           222           223           224           225 
      1   0.285617D+01  0.275641D+01 -0.306002D+01  0.429482D+01  0.526898D+01
      2  -0.859440D+01 -0.121487D+02  0.104687D+02 -0.730565D+01 -0.265888D+02
      3   0.629456D+01  0.112540D+02 -0.487745D+01  0.919749D+01  0.107275D+02
               226           227           228           229           230 
      1  -0.156679D+01 -0.391432D-01 -0.108206D+01 -0.915762D+00 -0.357930D+00
      2   0.166740D+02  0.842700D+00  0.112488D+02  0.261574D+00  0.790495D+00
      3   0.312701D+01 -0.622922D+01  0.580047D+00 -0.304785D+01 -0.896468D+00
               231           232           233           234           235 
      1  -0.522082D+00 -0.124363D+01  0.891068D+00 -0.678219D+00  0.399532D+00
      2  -0.108813D+01  0.103765D+02 -0.239363D+00  0.890321D+01  0.129821D+01
      3  -0.547306D+00  0.498582D+00 -0.329313D+01  0.107924D+01  0.811946D+00
               236           237           238           239           240 
      1   0.746842D+00 -0.182788D+00 -0.234168D+01 -0.603539D+01 -0.129102D+00
      2   0.193376D+01  0.585357D+00  0.735687D+00 -0.952753D+01  0.713190D+01
      3   0.356402D+01 -0.226516D+01 -0.870215D+01 -0.352160D+02  0.128913D+02
               241           242           243 
      1   0.592824D-01  0.200959D+01 -0.989761D-01
      2   0.405615D+01  0.609413D+01 -0.769200D+01
      3   0.119972D+01  0.896780D+01 -0.697008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.215487D+01  0.190061D+02  0.184382D+02  0.162737D+02  0.132926D+02
      2   0.186511D+01 -0.155423D+02 -0.132371D+02 -0.135161D+02  0.441710D+01
      3  -0.401998D+01 -0.346383D+01 -0.520109D+01 -0.275765D+01 -0.177097D+02
      4   0.204172D+02 -0.279181D+01 -0.117403D+02 -0.112893D+01 -0.986964D+01
      5   0.257543D+02 -0.175342D+02 -0.196842D+02 -0.188426D+02  0.110709D+02
      6  -0.181497D+02 -0.487370D+01  0.520966D+01 -0.270868D+01  0.144129D+01
                 6             7             8             9            10 
      1  -0.474801D+01  0.128933D+02 -0.525658D+01 -0.139560D+02 -0.286154D+02
      2  -0.331964D+01 -0.823252D+01 -0.400256D+01 -0.134154D+01  0.291967D+02
      3   0.806765D+01 -0.466075D+01  0.925913D+01  0.152975D+02 -0.581269D+00
      4   0.156613D+02 -0.120117D+02  0.134036D+02  0.847760D+00 -0.398849D+02
      5  -0.937300D+00 -0.179776D+02  0.976121D+00 -0.734631D+01 -0.128493D+02
      6  -0.127554D+02  0.483453D+01 -0.111862D+02  0.778843D+01  0.752447D+01
                11            12            13            14            15 
      1  -0.210786D+02 -0.806019D+01 -0.280697D+02 -0.267123D+02 -0.529319D+01
      2   0.136098D+02  0.416641D+01  0.180556D+02  0.102065D+02  0.729520D+01
      3   0.746874D+01  0.389378D+01  0.100142D+02  0.165058D+02 -0.200201D+01
      4   0.135369D+01  0.455693D+01 -0.226365D+00 -0.496029D+01 -0.150207D+02
      5   0.306139D+01  0.106037D+02  0.557738D+01 -0.128639D+02  0.149157D+01
      6  -0.413864D+01 -0.135407D+01 -0.186789D+01  0.124597D+02  0.130892D+01
                16            17            18            19            20 
      1   0.505776D+01 -0.393152D+01  0.119005D+02  0.805279D+02  0.104587D+02
      2  -0.125475D+02  0.101758D+02 -0.577671D+01 -0.763370D+02 -0.120404D+02
      3   0.748978D+01 -0.624425D+01 -0.612377D+01 -0.419095D+01  0.158167D+01
      4   0.102133D+02 -0.202530D+02 -0.250194D+01  0.854252D+01 -0.177985D+02
      5   0.125991D+02 -0.111784D+01  0.200684D+02 -0.700895D+01 -0.444252D+01
      6  -0.386874D+01 -0.923635D+00 -0.100026D+02 -0.172075D+02 -0.410433D+01
                21            22            23            24            25 
      1   0.470192D+01  0.123718D+02  0.110587D+02 -0.152156D+01  0.809969D+00
      2  -0.618169D+01 -0.165346D+02 -0.121494D+02 -0.411482D+01  0.295203D+01
      3   0.147977D+01  0.416276D+01  0.109077D+01  0.563638D+01 -0.376200D+01
      4  -0.458226D+01 -0.340884D+02 -0.444949D+01  0.381133D+01 -0.972869D+01
      5   0.542509D+00 -0.958373D+01  0.521232D+00  0.606812D+01 -0.297460D+01
      6  -0.129946D+01 -0.756127D+01 -0.423247D+01  0.131049D+01 -0.953032D+00
                26            27            28            29            30 
      1  -0.187893D+01  0.756016D+01 -0.141149D+03 -0.624087D+01 -0.697066D+01
      2  -0.479042D+01  0.115927D+02  0.104554D+03  0.510413D+01  0.447687D+01
      3   0.666935D+01 -0.191529D+02  0.365953D+02  0.113675D+01  0.249379D+01
      4   0.769651D+01  0.514590D+01  0.212028D+01 -0.669678D+01 -0.682552D+00
      5   0.366010D+01 -0.720101D+01  0.438007D+01 -0.866277D+00 -0.105796D+02
      6   0.407924D+01  0.253703D+01  0.193098D+02  0.474778D+01  0.169223D+01
                31            32            33            34            35 
      1  -0.322977D+02 -0.261262D+02 -0.856103D+01  0.279023D+02 -0.439504D+01
      2   0.278912D+02  0.242912D+02  0.516936D+01 -0.166374D+02  0.511890D+01
      3   0.440648D+01  0.183495D+01  0.339167D+01 -0.112650D+02 -0.723858D+00
      4  -0.967079D+01 -0.858914D+01 -0.222187D+01 -0.113233D+01 -0.132068D+01
      5  -0.135332D+01 -0.742026D+00 -0.269348D+01  0.106036D+01  0.156073D+01
      6   0.315864D+01  0.666688D+01  0.395068D+01 -0.562589D+00 -0.598999D+00
                36            37            38            39            40 
      1  -0.372960D+01  0.159202D+03  0.103340D+02  0.100162D+02  0.341383D+02
      2  -0.163248D+01 -0.113191D+03 -0.645878D+01 -0.699538D+01 -0.177182D+02
      3   0.536207D+01 -0.460106D+02 -0.387523D+01 -0.302084D+01 -0.164201D+02
      4   0.200465D+01 -0.397305D+01  0.148820D+02  0.714507D-01  0.311363D+02
      5  -0.201329D+01  0.111735D+02  0.165188D+01  0.201791D+02  0.599466D+01
      6   0.535821D+01 -0.192803D+02 -0.450634D+01 -0.290928D+01 -0.112377D+02
                41            42            43            44            45 
      1   0.358255D+01 -0.261220D+01 -0.335938D+02 -0.910434D+01  0.137633D+02
      2   0.301967D+01 -0.335000D+01  0.217264D+02  0.335169D+01 -0.201013D+01
      3  -0.660222D+01  0.596220D+01  0.118674D+02  0.575266D+01 -0.117531D+02
      4   0.720690D+01 -0.300184D+01  0.175541D+01 -0.178842D+01 -0.673582D+01
      5  -0.258249D+01 -0.496788D+01  0.270834D+02 -0.482358D+01  0.871700D+01
      6  -0.990522D+00  0.409317D+01 -0.184053D+01  0.295132D+01  0.593628D+01
                46            47            48            49            50 
      1  -0.603504D+02 -0.544702D+01  0.992294D+01  0.842453D+01 -0.298004D+01
      2   0.444724D+02 -0.211662D+01 -0.206555D+01 -0.110857D+02  0.640754D+01
      3   0.158781D+02  0.756364D+01 -0.785739D+01  0.266114D+01 -0.342750D+01
      4  -0.608242D+01 -0.170196D+02  0.500750D+01  0.963616D+00  0.228183D+01
      5  -0.113680D+01  0.206872D+01 -0.170800D+02  0.265054D+02 -0.536670D+01
      6   0.123139D+02  0.170354D+01  0.592665D-01 -0.292032D+01  0.527958D+01
                51            52            53            54            55 
      1   0.983356D+01 -0.593897D+02  0.468390D+01 -0.190980D+02  0.312309D+02
      2  -0.107659D+02  0.526326D+02  0.109942D+01  0.224220D+02 -0.181928D+02
      3   0.932354D+00  0.675710D+01 -0.578332D+01 -0.332395D+01 -0.130381D+02
      4  -0.679648D+01  0.266744D+02 -0.814821D+01  0.111442D+02 -0.807079D+01
      5   0.952658D+01 -0.629172D+02  0.612222D+01 -0.465677D+02  0.209542D+02
      6   0.327665D+01  0.149467D+02 -0.611610D+01  0.776784D+01 -0.203855D+01
                56            57            58            59            60 
      1  -0.346773D+01  0.109921D+02 -0.298841D+02 -0.198059D+00 -0.392059D+01
      2   0.303035D+01 -0.757212D+01  0.188345D+02  0.128551D+01  0.382367D+01
      3   0.437374D+00 -0.341995D+01  0.110496D+02 -0.108745D+01  0.969159D-01
      4   0.131689D+02 -0.519590D+01  0.245726D+02 -0.161398D+02  0.214701D+02
      5  -0.421483D+01  0.213622D+02 -0.199433D+02  0.207812D+02 -0.130913D+02
      6   0.183904D+01 -0.154888D+01  0.120259D+02 -0.863719D+01  0.137290D+02
                61            62            63            64            65 
      1   0.843008D+02  0.347765D+01  0.521469D+01 -0.651899D+00  0.369688D+02
      2  -0.647919D+02 -0.258807D+01 -0.335235D+02 -0.223747D+02 -0.252680D+02
      3  -0.195089D+02 -0.889584D+00  0.283088D+02  0.230266D+02 -0.117008D+02
      4  -0.148706D+02  0.180243D+02 -0.157519D+02  0.392543D+02 -0.201677D+02
      5   0.721551D+02 -0.992680D+01  0.786713D+02  0.815234D+01 -0.251965D+01
      6  -0.135893D+02  0.147450D+02 -0.993354D+01 -0.777016D+01  0.656466D+01
                66            67            68            69            70 
      1   0.104550D+02  0.317121D+02  0.546144D+01 -0.663173D-01  0.804415D+01
      2  -0.490734D+00 -0.193111D+02 -0.613688D+01 -0.685680D+01  0.765561D+01
      3  -0.996424D+01 -0.124010D+02  0.675434D+00  0.692312D+01 -0.156998D+02
      4  -0.124056D+02 -0.157050D+02 -0.427671D+01  0.147237D+02 -0.195865D+02
      5  -0.498967D+01 -0.413366D+01  0.143546D+02 -0.594452D+01 -0.686921D+01
      6   0.421219D+01  0.797462D+01 -0.126203D+02  0.493105D+01  0.606383D+01
                71            72            73            74            75 
      1  -0.229554D+01 -0.348004D+01 -0.120363D+02 -0.110181D+02  0.277622D+01
      2  -0.983985D+01  0.169688D+02  0.806855D+01  0.817255D+01  0.539101D+01
      3   0.121354D+02 -0.134888D+02  0.396775D+01  0.284555D+01 -0.816723D+01
      4   0.182158D+02  0.440490D+01 -0.100176D+02  0.110682D+02  0.112401D+02
      5  -0.283586D+00 -0.342971D+02  0.105638D+02  0.109085D+02 -0.262654D+02
      6   0.502691D+01  0.193352D+02  0.339926D+01  0.812584D+01 -0.278916D+01
                76            77            78            79            80 
      1  -0.112473D+02  0.314549D+02  0.181467D+02  0.106499D+02  0.191447D+02
      2   0.924999D+01 -0.148292D+02 -0.999678D+01  0.319694D+01 -0.113140D+02
      3   0.199728D+01 -0.166256D+02 -0.814996D+01 -0.138469D+02 -0.783069D+01
      4   0.237125D+02  0.199289D+02  0.916885D+01  0.211774D+02  0.125273D+02
      5   0.183772D+02  0.682883D+01  0.264238D+01 -0.390882D+02 -0.435274D+00
      6   0.663065D+01  0.135705D+01  0.418480D+00 -0.563306D+01  0.186470D+01
                81            82            83            84            85 
      1  -0.322127D+02 -0.437165D+02  0.482490D+01  0.487987D+01  0.999088D+01
      2   0.241801D+02  0.468450D+02  0.675751D+01 -0.562703D+01  0.414034D+01
      3   0.803256D+01 -0.312851D+01 -0.115824D+02  0.747162D+00 -0.141312D+02
      4  -0.513177D+01  0.250028D+02  0.185336D+02 -0.652377D+00  0.257365D+02
      5  -0.162141D+02  0.590785D+01  0.572205D+00  0.216489D+01 -0.123872D+01
      6   0.236442D+01  0.122719D+02 -0.204405D+01  0.285404D+01 -0.137972D+01
                86            87            88            89            90 
      1   0.780807D+01 -0.858073D+00  0.231976D+02  0.421148D+01  0.239736D+02
      2  -0.162091D+01  0.166791D+01 -0.230029D+02 -0.370797D+01 -0.262946D+02
      3  -0.618717D+01 -0.809832D+00 -0.194773D+00 -0.503508D+00  0.232099D+01
      4  -0.190509D+01 -0.757586D+01 -0.692913D+01 -0.132822D+02 -0.125705D+02
      5  -0.331690D+01 -0.113599D+02  0.217885D+01 -0.157790D+02  0.201045D+01
      6  -0.105272D+02 -0.201286D+02 -0.291153D+01 -0.303863D+02 -0.487352D+01
                91            92            93            94            95 
      1  -0.232732D+02  0.849283D+01 -0.408309D+02  0.190848D+02  0.117884D+02
      2   0.104758D+02 -0.210174D+01  0.194826D+02 -0.162082D+02 -0.116636D+02
      3   0.127974D+02 -0.639109D+01  0.213483D+02 -0.287658D+01 -0.124766D+00
      4   0.143992D+02  0.137450D+02 -0.113427D+02 -0.614873D+01 -0.324555D+02
      5  -0.460902D+02 -0.103842D+02 -0.238460D+01 -0.124223D+02  0.261522D+02
      6  -0.658585D+01 -0.442988D+01  0.248388D+01  0.334207D+01  0.102867D+02
                96            97            98            99           100 
      1  -0.949343D+01 -0.551729D+02 -0.795658D+01 -0.212888D+02  0.355873D+02
      2   0.163344D+02  0.255888D+02  0.116277D+02  0.165376D+02 -0.236227D+02
      3  -0.684100D+01  0.295841D+02 -0.367108D+01  0.475121D+01 -0.119646D+02
      4   0.281800D+02 -0.114041D+02  0.207560D+02  0.113615D+02  0.619489D+01
      5   0.185594D+02 -0.270630D+02  0.114626D+02  0.322579D+02  0.247427D+02
      6  -0.827722D+01  0.377138D+01 -0.475003D+01 -0.633816D+01  0.179156D+01
               101           102           103           104           105 
      1   0.177614D+01  0.164784D+02 -0.540664D+01  0.894499D+00 -0.504944D+01
      2  -0.388337D+00 -0.127832D+02  0.412392D+01 -0.148754D+01  0.421551D+01
      3  -0.138780D+01 -0.369524D+01  0.128272D+01  0.593043D+00  0.833933D+00
      4   0.513314D+01  0.108579D+01  0.612021D+01 -0.303866D+01  0.527303D+01
      5  -0.849851D+00  0.232073D+02 -0.616604D+01  0.621685D+01 -0.494388D+01
      6   0.105910D+01  0.251499D+01  0.233491D+01 -0.855197D-01  0.386609D+01
               106           107           108           109           110 
      1   0.272556D+02 -0.212233D+01  0.193652D+02  0.594779D+02  0.133805D+02
      2  -0.230458D+02  0.271684D+01 -0.232007D+02 -0.300594D+02 -0.490071D+01
      3  -0.420987D+01 -0.594518D+00  0.383553D+01 -0.294185D+02 -0.847978D+01
      4   0.265607D+01  0.884176D+01  0.404406D+01  0.257953D+02  0.129302D+02
      5   0.371468D+02  0.939966D+00  0.410833D+02 -0.224637D+02 -0.656986D+01
      6   0.400545D+01  0.409411D+01  0.511942D+01 -0.654004D+01 -0.305849D+01
               111           112           113           114           115 
      1  -0.173582D+02  0.114377D+02  0.435726D+01 -0.482879D+01 -0.347524D+02
      2   0.866373D+01 -0.323219D+01  0.181001D+01  0.146142D+01  0.183672D+02
      3   0.869443D+01 -0.820553D+01 -0.616727D+01  0.336737D+01  0.163851D+02
      4  -0.916564D+01  0.156335D+02  0.104212D+02 -0.810421D+01 -0.181190D+02
      5   0.189983D+02 -0.682945D+01 -0.726947D+01  0.425648D+01  0.297431D+02
      6   0.422984D+01 -0.408604D+01 -0.271097D+01  0.364063D+01  0.781729D+01
               116           117           118           119           120 
      1  -0.901994D+01  0.190302D+02  0.455766D+00 -0.271121D+00  0.236112D+01
      2   0.308592D+01 -0.138017D+02 -0.354585D+01  0.148492D+00  0.274117D+00
      3   0.593402D+01 -0.522856D+01  0.309009D+01  0.122629D+00 -0.263524D+01
      4  -0.138852D+02  0.102308D+02 -0.132670D+01  0.243662D+01  0.481364D+00
      5   0.719920D+01 -0.214757D+02  0.108768D+01 -0.250978D+00  0.577314D+01
      6   0.441207D+01 -0.646887D+01 -0.278122D+00 -0.785377D-01 -0.578566D-01
               121           122           123           124           125 
      1   0.120966D+01 -0.532933D+01  0.456250D+01  0.249808D+00  0.192012D+01
      2   0.686426D-01  0.101679D+01  0.617448D+00 -0.397250D+00  0.244175D+01
      3  -0.127830D+01  0.431254D+01 -0.517994D+01  0.147442D+00 -0.436188D+01
      4   0.223720D+01 -0.107663D+01  0.121002D+01  0.130069D+00  0.397344D+01
      5  -0.468854D+00  0.979359D+00 -0.281857D+01  0.542899D+01 -0.174406D+01
      6  -0.381812D+00 -0.232988D+01  0.612945D+01 -0.270110D+00  0.443943D+01
               126           127           128           129           130 
      1  -0.216527D+02 -0.232139D-01  0.617387D+01 -0.392764D+01  0.418877D+01
      2  -0.119865D+02  0.139982D+00 -0.799863D+01  0.361274D+01 -0.405651D+01
      3   0.336391D+02 -0.116769D+00  0.182476D+01  0.314900D+00 -0.132254D+00
      4  -0.287371D+01 -0.148725D+01  0.117992D+01 -0.232301D+01  0.319494D+01
      5   0.112896D+02 -0.123936D+01 -0.785072D-01  0.732176D-01  0.982175D-01
      6  -0.135374D+00 -0.474598D+01  0.241355D+01 -0.295391D+01  0.620455D+00
               131           132           133           134           135 
      1  -0.190977D+02  0.788248D+01 -0.699867D+01  0.147533D+02 -0.153943D+02
      2   0.264084D+02 -0.107154D+02  0.440540D+01 -0.197050D+02  0.144189D+02
      3  -0.731065D+01  0.283296D+01  0.259327D+01  0.495171D+01  0.975477D+00
      4   0.999407D+01 -0.394853D+01 -0.480400D+01 -0.825811D+01  0.612818D+01
      5  -0.552364D+01  0.611786D+01  0.680079D+00  0.862550D+01 -0.106341D+02
      6  -0.954957D+01  0.119964D+02 -0.141577D+00  0.162954D+02 -0.157246D+02
               136           137           138           139           140 
      1   0.609703D+01  0.582161D+01  0.342798D+01  0.327223D+01 -0.277177D+02
      2  -0.479342D+01 -0.426722D+01 -0.144159D+01 -0.659692D+00  0.343869D+02
      3  -0.130361D+01 -0.155440D+01 -0.198639D+01 -0.261254D+01 -0.666925D+01
      4   0.411795D+01  0.598839D+01  0.450144D+01  0.889559D+01  0.227821D+02
      5   0.247213D+01  0.342568D+01  0.408304D+01  0.406810D+01  0.116992D+02
      6   0.376315D+01 -0.404164D+00 -0.797021D+00  0.417580D+01  0.272776D+02
               141           142           143           144           145 
      1  -0.135211D+02 -0.295280D+01 -0.233055D+02 -0.218689D+02 -0.198313D+01
      2   0.135632D+02  0.492330D+01  0.212981D+02  0.130948D+02 -0.109213D+01
      3  -0.420460D-01 -0.197050D+01  0.200740D+01  0.877412D+01  0.307526D+01
      4   0.115647D+02  0.103922D+02  0.187861D+02  0.140469D+02  0.676949D+00
      5   0.955830D+01  0.747954D+01  0.153467D+02  0.141902D+02 -0.293983D+01
      6   0.208883D+02  0.630188D+01  0.305581D+02  0.267666D+02 -0.756699D+00
               146           147           148           149           150 
      1   0.129566D+01 -0.593784D+01  0.281290D+01 -0.947673D+01  0.100156D+02
      2   0.106326D+01  0.898366D+00 -0.102963D+01 -0.101775D+01  0.700447D+01
      3  -0.235893D+01  0.503948D+01 -0.178327D+01  0.104945D+02 -0.170201D+02
      4   0.370506D+00  0.122538D+01  0.215845D+00  0.156587D+02 -0.918526D+01
      5  -0.256957D+00  0.353071D+01 -0.271234D+01 -0.731125D+01  0.115991D+02
      6   0.262333D+01 -0.155864D+01  0.145153D+01 -0.160438D+02  0.108839D+02
               151           152           153           154           155 
      1  -0.335338D+01  0.709029D+01 -0.998802D+01  0.273587D+02 -0.716668D+01
      2   0.120292D+01  0.437155D+01 -0.735187D+01 -0.199822D+02  0.395904D+01
      3   0.215046D+01 -0.114618D+02  0.173399D+02 -0.737652D+01  0.320764D+01
      4   0.102641D+01 -0.693651D+01  0.684182D+01 -0.216642D+02  0.145553D+02
      5   0.459609D+01  0.539851D+01 -0.819399D+01 -0.382804D+02  0.142062D+02
      6  -0.132685D+01  0.105875D+02 -0.877525D+01  0.124685D+02 -0.868665D+01
               156           157           158           159           160 
      1  -0.898155D+01 -0.729476D+01  0.816823D+00  0.206680D-01 -0.673309D+01
      2   0.145221D+02  0.407883D+01 -0.454300D+00 -0.210934D+01  0.113877D+02
      3  -0.554051D+01  0.321593D+01 -0.362523D+00  0.208867D+01 -0.465466D+01
      4   0.120892D+02  0.135341D+02 -0.111421D+02 -0.101232D+02  0.819075D+01
      5   0.303163D+02  0.134860D+02 -0.112807D+02 -0.110331D+02  0.217344D+02
      6  -0.983327D+01 -0.794729D+01  0.827483D+01  0.100170D+02 -0.714594D+01
               161           162           163           164           165 
      1   0.294735D+00  0.255493D+01 -0.112386D+02 -0.135944D+02 -0.134080D+02
      2  -0.200717D+01 -0.105622D+02  0.562693D+01  0.937994D+01  0.220911D+01
      3   0.171244D+01  0.800730D+01  0.561167D+01  0.421444D+01  0.111989D+02
      4  -0.592560D+01 -0.833711D+01  0.161080D+01 -0.491752D+00  0.570505D+00
      5  -0.825336D+01 -0.208067D+02  0.650992D+01  0.458990D+01  0.158214D+01
      6   0.717636D+01  0.800413D+01  0.861491D+01  0.107520D+02  0.745691D+01
               166           167           168           169           170 
      1  -0.111502D+02 -0.167914D+02 -0.927574D+01 -0.681280D+01 -0.512786D+01
      2   0.803278D+01  0.123486D+02  0.280801D+01  0.117356D+01  0.785943D+00
      3   0.311737D+01  0.444277D+01  0.646773D+01  0.563923D+01  0.434191D+01
      4   0.150619D+01 -0.275884D+01 -0.356914D+01  0.981474D+00 -0.170029D+01
      5   0.633295D+01  0.387764D+00 -0.186370D+01  0.411738D+01  0.195517D+00
      6   0.663165D+01  0.128506D+02  0.110904D+02  0.388162D+01  0.761547D+01
               171           172           173           174           175 
      1  -0.768303D+01 -0.142791D+02 -0.253575D+02 -0.958488D+00 -0.155607D+02
      2   0.225822D+00  0.162229D+02  0.291302D+02  0.896636D+00  0.153905D+02
      3   0.745721D+01 -0.194381D+01 -0.377268D+01  0.618521D-01  0.170238D+00
      4  -0.532508D+00  0.420675D+01 -0.110180D+00  0.252409D+01  0.571407D+01
      5   0.867168D+00 -0.441212D+01 -0.153454D+01 -0.181629D+01 -0.216750D+01
      6   0.557943D+01  0.283890D+00 -0.371273D+01  0.524210D+01 -0.141331D+01
               176           177           178           179           180 
      1  -0.278177D+02 -0.590189D+00 -0.337630D+01 -0.261037D+01 -0.500326D+01
      2   0.380422D+02  0.206260D+01  0.137144D+01  0.594807D+01  0.314143D+01
      3  -0.102245D+02 -0.147241D+01  0.200486D+01 -0.333771D+01  0.186183D+01
      4  -0.804486D+01 -0.749218D+00  0.311377D+01 -0.398136D+01 -0.500949D+00
      5  -0.329667D+01 -0.183025D+01  0.443021D+00 -0.175541D+01  0.185053D+01
      6  -0.280306D+01  0.501793D+01  0.223349D+01  0.543498D+01 -0.742566D+00
               181           182           183           184           185 
      1   0.437428D+02 -0.181857D+02 -0.768016D+01 -0.152184D+02  0.515152D+01
      2  -0.716375D+01 -0.329039D+01  0.131413D+01 -0.225378D+01  0.117742D+02
      3  -0.365791D+02  0.214761D+02  0.636602D+01  0.174722D+02 -0.169257D+02
      4  -0.522241D+02  0.359631D+02  0.739308D+01  0.289943D+02 -0.264970D+02
      5  -0.347155D+01  0.939656D+00  0.980715D+01  0.181932D+01 -0.298119D+01
      6   0.343192D+01 -0.157197D+01 -0.699313D+01 -0.164743D+01  0.244404D+01
               186           187           188           189           190 
      1   0.118500D+01 -0.113844D+02  0.280469D+01  0.542287D+01  0.370962D+01
      2   0.264685D+01 -0.415591D+00  0.570545D+01 -0.247716D+01 -0.213677D+01
      3  -0.383185D+01  0.118000D+02 -0.851013D+01 -0.294570D+01 -0.157284D+01
      4  -0.609007D+01  0.175975D+02 -0.155100D+02 -0.939725D+01 -0.698697D+01
      5  -0.311955D+01  0.984030D+01 -0.569351D+01 -0.424596D+01  0.715727D+01
      6   0.361787D+01 -0.751612D+01  0.464304D+01  0.324767D+01 -0.297135D+01
               191           192           193           194           195 
      1  -0.433141D+01  0.435002D+01 -0.141204D+00 -0.218062D+01  0.237151D+01
      2   0.236903D+01 -0.449723D+01 -0.421546D+00  0.353520D-02 -0.432003D+01
      3   0.196238D+01  0.147213D+00  0.562750D+00  0.217708D+01  0.194852D+01
      4   0.473954D+01 -0.283774D+01  0.246361D+01  0.119667D+01  0.309703D+01
      5  -0.131987D+01  0.103616D+02  0.142255D+01  0.318529D+01  0.263575D+01
      6   0.490684D+00 -0.355594D+01  0.295288D+00 -0.140342D+01  0.440826D+01
               196           197           198           199           200 
      1   0.384570D+01  0.447039D+01 -0.977754D+01 -0.835787D+00 -0.839671D+00
      2  -0.627697D+01 -0.454611D+01 -0.165005D+02  0.152076D+01  0.668274D+00
      3   0.243127D+01  0.757209D-01  0.262781D+02 -0.684968D+00  0.171397D+00
      4  -0.591196D+01  0.820360D+01 -0.891511D+01  0.123580D+00  0.137356D+01
      5   0.155226D+02 -0.648168D+01  0.427000D+02  0.165389D+00 -0.474189D+00
      6  -0.747008D+01  0.973450D+01 -0.290961D+02 -0.666203D+00  0.225662D+00
               201           202           203           204           205 
      1   0.722198D+00 -0.230579D+01 -0.190035D+01  0.542734D+01  0.645152D+01
      2  -0.609543D+00 -0.214791D+01  0.105612D+01 -0.296109D+01 -0.327892D+01
      3  -0.112655D+00  0.445370D+01  0.844226D+00 -0.246626D+01 -0.317259D+01
      4  -0.739043D+00  0.650627D+00 -0.140802D+01  0.208125D+01 -0.392423D+00
      5   0.202478D+01 -0.452409D+00  0.110374D+01 -0.759011D+00  0.138055D+01
      6   0.122268D+00  0.802860D+00 -0.382329D+01  0.379564D+01  0.802248D+00
               206           207           208           209           210 
      1   0.665921D+01 -0.130518D+02  0.210294D+01  0.255170D+01 -0.571230D+01
      2  -0.459142D+01  0.140554D+01 -0.302800D+01 -0.138507D+01  0.208748D+01
      3  -0.206778D+01  0.116463D+02  0.925056D+00 -0.116663D+01  0.362482D+01
      4   0.195642D+01 -0.307740D+01  0.265602D+01  0.126641D+01 -0.159890D+01
      5  -0.196286D+01  0.440258D+01 -0.497813D+01 -0.173132D+01  0.413560D+01
      6   0.491895D+01 -0.732477D+01 -0.180319D+01  0.249719D+00  0.333769D+00
               211           212           213           214           215 
      1   0.261411D+01 -0.478336D+01  0.427431D+01 -0.185249D+01  0.474944D+01
      2  -0.441352D+01  0.859281D+00  0.157759D+01  0.332880D+01  0.345819D+00
      3   0.179941D+01  0.392408D+01 -0.585190D+01 -0.147631D+01 -0.509526D+01
      4  -0.228751D+01  0.156401D+01 -0.267114D+01 -0.358362D+01 -0.371261D+01
      5  -0.509343D+01 -0.363702D+01  0.682700D+01  0.722981D+01  0.570759D+01
      6   0.119592D+01 -0.313545D+01  0.466938D+01  0.251673D+01  0.614132D+01
               216           217           218           219           220 
      1  -0.192167D+02  0.180892D+02 -0.634839D+01 -0.690132D+01 -0.186310D+02
      2  -0.729989D+01 -0.127185D+02  0.390894D+01  0.539281D+01  0.125409D+02
      3   0.265166D+02 -0.537069D+01  0.243945D+01  0.150851D+01  0.609014D+01
      4   0.434594D+01 -0.709197D+01  0.359800D+01  0.514744D+01  0.135750D+02
      5  -0.208171D+02 -0.883125D+01  0.585983D+01  0.114956D+02  0.167121D+02
      6  -0.650445D+01  0.264101D+01 -0.422448D+00 -0.812507D+00 -0.478114D+01
               221           222           223           224           225 
      1   0.194884D+01  0.547966D+01 -0.246778D+02 -0.864012D+00  0.105883D+02
      2  -0.201583D+01 -0.986306D+01  0.194829D+02 -0.489117D+01 -0.232923D+02
      3   0.669982D-01  0.438340D+01  0.519491D+01  0.575518D+01  0.127040D+02
      4  -0.127598D+02 -0.198549D+02  0.417522D+01 -0.182725D+02 -0.162596D+02
      5  -0.186407D+02 -0.256422D+02  0.361188D+02 -0.146849D+02 -0.587005D+02
      6   0.562926D+01  0.883490D+01 -0.277754D+01  0.701232D+01  0.669250D+01
               226           227           228           229           230 
      1   0.100141D+03  0.169694D+01  0.236805D+02 -0.601378D+01  0.926466D+01
      2  -0.478504D+02  0.325148D+00 -0.103351D+02  0.412760D+01 -0.282927D+01
      3  -0.522907D+02 -0.202209D+01 -0.133454D+02  0.188618D+01 -0.643538D+01
      4   0.626583D+01  0.124876D+02  0.271559D+01  0.143139D+02  0.302486D+01
      5   0.195667D+02  0.177605D+01  0.165786D+02  0.577196D+00  0.161428D+01
      6   0.310664D+01 -0.145336D+00  0.160106D+01  0.197080D+00 -0.630353D+00
               231           232           233           234           235 
      1   0.345847D+00  0.489718D+02  0.244026D+01  0.200557D+02  0.465614D+01
      2  -0.935130D+00 -0.233351D+02 -0.120293D+01 -0.113021D+02 -0.108993D+01
      3   0.589283D+00 -0.256367D+02 -0.123732D+01 -0.875361D+01 -0.356622D+01
      4   0.199386D+01  0.491499D+01  0.665371D+01  0.242145D+00  0.345981D+01
      5  -0.271166D+01  0.232510D+02 -0.312561D+00  0.158935D+02  0.281006D+01
      6   0.219511D+01  0.248061D+01  0.171649D+01  0.253774D+01 -0.212732D+01
               236           237           238           239           240 
      1   0.861089D+01  0.452881D+00  0.216669D+02 -0.871740D+01  0.281055D+01
      2  -0.589128D+01 -0.160534D-01 -0.590059D+01  0.227685D+02 -0.497183D+01
      3  -0.271962D+01 -0.436828D+00 -0.157663D+02 -0.140511D+02  0.216128D+01
      4  -0.274339D+00  0.163189D+01  0.233712D+02  0.613465D+02 -0.216265D+02
      5   0.943621D+00 -0.107731D-01 -0.956339D+01 -0.200828D+02  0.144337D+02
      6   0.138234D+01 -0.154906D+01 -0.520848D+01 -0.174687D+02  0.111009D+02
               241           242           243 
      1  -0.704400D+01  0.318448D+01  0.196576D+01
      2   0.410198D+01 -0.287006D+01 -0.164005D+01
      3   0.294202D+01 -0.314419D+00 -0.325710D+00
      4  -0.452498D+01 -0.160639D+02  0.117969D+02
      5   0.143863D+02  0.120938D+02 -0.177922D+02
      6   0.238545D+01  0.993704D+01 -0.613917D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x         -0.691470D+00     -0.175754D+01     -0.586253D+01
   y          0.308382D+00      0.783828D+00      0.261457D+01
   z         -0.974522D+00     -0.247699D+01     -0.826234D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.161954D+03      0.239991D+02      0.267026D+02
   yx         0.539450D+01      0.799383D+00      0.889434D+00
   yy         0.104291D+03      0.154544D+02      0.171953D+02
   zx        -0.277386D+01     -0.411043D+00     -0.457347D+00
   zy        -0.301374D+01     -0.446590D+00     -0.496899D+00
   zz         0.109144D+03      0.161735D+02      0.179955D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133573D+03      0.197934D+02      0.220232D+02
   aniso      0.668412D+02      0.990485D+01      0.110206D+02
   xx         0.177286D+03      0.262710D+02      0.292305D+02
   yx         0.603415D+01      0.894169D+00      0.994897D+00
   yy         0.109423D+03      0.162148D+02      0.180414D+02
   zx        -0.230375D+01     -0.341380D+00     -0.379836D+00
   zy        -0.302418D+01     -0.448137D+00     -0.498619D+00
   zz         0.114009D+03      0.168944D+02      0.187976D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.47003587         -1.55170563         -0.14292920
     6         -3.17181872         -0.51541034          2.21084510
     6         -0.77111491          1.15060717          1.59450997
     6          0.66859704          0.65979770         -0.74467458
     6          3.10824202          0.02707780         -0.85801554
     6          4.40266170         -0.45926070         -3.29830993
     8          3.32022049         -0.31998661         -5.31906242
     6         -2.72446495         -2.60046238          4.12911090
     6         -4.47705279          1.93040096          3.18411819
     6         -2.50220805          3.51604622          1.73593716
     6          7.17124817         -1.14545872         -3.12985568
     1         -4.28457458          2.13565878          5.22637184
     1         -6.45807385          2.18504040          2.67893685
     1          0.49184684          1.10174215          3.22626510
     1         -3.16702927          4.07854473         -0.13092037
     1         -1.71674391          5.16969495          2.67562958
     1         -4.83542943         -0.07993794         -1.54017085
     1         -6.28577299         -2.38877203          0.37077317
     1         -3.32727180         -3.01218529         -1.04791291
     1         -1.50561697         -4.07288662          3.34530268
     1         -4.50723066         -3.48641399          4.68169538
     1         -1.82450685         -1.86588607          5.83436726
     1         -0.33566003          0.81103852         -2.52907238
     1          4.21987844         -0.14603612          0.85714660
     1          8.22104849          0.36948520         -2.19585100
     1          7.93654250         -1.46694317         -5.00912134
     1          7.41248586         -2.84206233         -1.97536526

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.123407D+01      0.313669D+01      0.104629D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.148545D+03      0.220120D+02      0.244917D+02
   yx        -0.848723D+01     -0.125768D+01     -0.139936D+01
   yy         0.104200D+03      0.154408D+02      0.171802D+02
   zx        -0.220757D+02     -0.327128D+01     -0.363979D+01
   zy         0.362876D+01      0.537726D+00      0.598301D+00
   zz         0.122645D+03      0.181742D+02      0.202215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133573D+03      0.197934D+02      0.220232D+02
   aniso      0.668412D+02      0.990485D+01      0.110206D+02
   xx         0.160177D+03      0.237358D+02      0.264096D+02
   yx        -0.977725D+01     -0.144884D+01     -0.161205D+01
   yy         0.109487D+03      0.162243D+02      0.180520D+02
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 GARBAGE IN, GARBAGE OUT
 Job cpu time:       0 days  4 hours 41 minutes  3.1 seconds.
 Elapsed time:       0 days  0 hours 35 minutes 10.1 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:15:55 2021.
